Found 78 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocortin receptor 4
(Mus musculus) | BDBM50427678
(CHEMBL2323788)Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:85.90,14.14,30.31,1.0,62.64,38.39,wD:100.107,5.103,10.87,71.75,51.54,25.26,(29.25,-18.72,;30.6,-19.49,;30.61,-21.03,;29.27,-21.81,;27.94,-21.04,;29.28,-23.35,;30.62,-24.11,;30.62,-25.65,;31.96,-26.42,;31.97,-27.96,;33.3,-28.73,;34.64,-27.95,;35.97,-28.72,;35.98,-30.26,;37.3,-27.94,;38.64,-28.71,;38.65,-30.25,;37.31,-31.02,;37.32,-32.56,;38.66,-33.33,;39.99,-32.54,;39.98,-31.01,;37.3,-26.4,;38.63,-25.62,;39.96,-26.39,;38.63,-24.08,;37.28,-23.32,;39.96,-23.31,;41.29,-24.08,;41.3,-25.62,;42.63,-23.3,;43.96,-24.07,;43.96,-25.61,;45.3,-26.37,;42.64,-26.38,;42.62,-21.76,;43.95,-20.98,;45.29,-21.75,;43.97,-19.42,;45.3,-18.66,;46.59,-19.51,;48.02,-18.98,;48.98,-20.19,;48.12,-21.48,;48.5,-22.95,;47.41,-24.02,;45.92,-23.62,;45.55,-22.13,;46.64,-21.06,;42.63,-18.66,;42.64,-17.13,;41.3,-16.36,;42.63,-15.6,;43.97,-16.37,;45.3,-15.6,;46.63,-16.38,;47.97,-15.61,;49.31,-16.39,;47.98,-14.07,;41.3,-14.84,;39.98,-14.06,;39.99,-12.52,;38.63,-14.82,;38.63,-16.36,;39.97,-17.12,;39.97,-18.67,;41.31,-19.44,;41.31,-20.98,;37.31,-14.05,;35.98,-14.81,;34.65,-14.04,;35.98,-16.35,;34.64,-17.12,;33.3,-16.35,;33.31,-14.81,;31.99,-14.03,;30.64,-14.8,;30.65,-16.35,;31.98,-17.12,;37.3,-17.13,;31.99,-18.72,;33.26,-19.48,;33.31,-30.27,;34.65,-31.04,;31.98,-31.04,;31.98,-32.58,;33.32,-33.35,;33.33,-34.89,;31.99,-35.67,;32,-37.2,;33.34,-37.97,;33.34,-39.51,;34.67,-37.19,;34.66,-35.65,;30.65,-33.36,;30.66,-34.9,;29.31,-32.59,;27.95,-24.12,;27.96,-25.67,;29.29,-26.43,;26.62,-26.44,;25.28,-25.68,;26.63,-27.98,;25.29,-28.76,;23.96,-28,;22.63,-28.77,;22.63,-30.31,;21.29,-31.08,;23.96,-31.09,;25.3,-30.31,)| Show InChI InChI=1S/C74H92N18O15S3/c1-40-64(98)87-55(31-43-14-7-4-8-15-43)69(103)91-59(72(106)85-53(63(77)97)29-45-21-25-49(94)26-22-45)38-110-109-37-58(89-66(100)51(75)28-44-19-23-48(93)24-20-44)70(104)83-41(2)65(99)86-54(30-42-12-5-3-6-13-42)68(102)90-57-36-108-39-62(96)92(35-47(84-71(57)105)16-11-27-80-74(78)79)60(32-46-34-81-52-18-10-9-17-50(46)52)73(107)88-56(33-61(76)95)67(101)82-40/h3-10,12-15,17-26,34,40-41,47,51,53-60,81,93-94H,11,16,27-33,35-39,75H2,1-2H3,(H2,76,95)(H2,77,97)(H,82,101)(H,83,104)(H,84,105)(H,85,106)(H,86,99)(H,87,98)(H,88,107)(H,89,100)(H,90,102)(H,91,103)(H4,78,79,80)/t40-,41-,47-,51-,53-,54+,55-,56-,57+,58-,59-,60-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 705 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427681
(CHEMBL2323785)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,27.29,1.0,(18.43,-11.75,;19.77,-12.51,;21.1,-11.75,;22.43,-12.51,;22.44,-14.04,;23.77,-11.73,;25.1,-12.5,;25.1,-14.04,;26.44,-14.8,;23.78,-14.81,;23.76,-10.19,;25.09,-9.42,;26.42,-10.19,;25.11,-7.86,;26.43,-7.1,;27.79,-7.89,;27.78,-9.46,;29.13,-10.24,;30.49,-9.46,;31.85,-10.24,;33.21,-9.46,;33.21,-7.88,;31.85,-7.1,;30.49,-7.88,;29.14,-7.1,;23.76,-7.1,;23.77,-5.57,;22.44,-4.8,;23.77,-4.04,;25.11,-4.81,;26.43,-4.05,;27.77,-4.82,;29.1,-4.06,;30.43,-4.83,;29.11,-2.51,;22.44,-3.28,;21.12,-2.51,;21.13,-.97,;19.78,-3.26,;19.78,-4.8,;21.11,-5.57,;21.11,-7.11,;22.45,-7.88,;22.45,-9.42,;18.46,-2.5,;17.13,-3.26,;15.77,-2.47,;17.13,-4.8,;15.79,-5.57,;14.43,-4.78,;13.09,-5.57,;11.73,-4.79,;11.72,-3.21,;13.08,-2.44,;14.44,-3.22,;18.45,-5.57,;13.14,-7.16,;14.42,-7.92,;11.76,-7.93,;10.41,-7.15,;8.84,-7.19,;7.94,-8.48,;6.44,-8.03,;6.41,-6.46,;7.89,-5.94,;11.77,-9.47,;10.43,-10.25,;9.1,-9.48,;10.44,-11.78,;11.78,-12.55,;11.78,-14.08,;13.11,-14.85,;13.12,-16.39,;14.46,-17.15,;15.79,-16.37,;17.12,-17.14,;17.13,-18.68,;18.45,-16.37,;19.78,-17.13,;19.79,-18.67,;18.46,-19.44,;18.47,-20.98,;19.81,-21.74,;21.14,-20.96,;21.13,-19.43,;18.45,-14.83,;19.77,-14.05,;21.11,-14.82,;14.47,-18.69,;15.8,-19.46,;13.13,-19.46,;13.14,-21,;14.48,-21.77,;14.48,-23.31,;13.15,-24.08,;13.15,-25.61,;14.49,-26.38,;14.5,-27.91,;15.82,-25.59,;15.81,-24.06,;11.81,-21.78,;11.82,-23.32,;10.47,-21.01,;9.11,-12.55,;9.12,-14.1,;10.45,-14.86,;7.79,-14.87,;6.45,-14.11,;7.8,-16.4,;6.46,-17.18,;5.13,-16.42,;3.8,-17.19,;3.8,-18.73,;2.46,-19.5,;5.13,-19.51,;6.47,-18.73,)| Show InChI InChI=1S/C79H95N19O15S3/c1-44-69(104)91-58(32-45-11-4-2-5-12-45)72(107)97-64(76(111)90-57(68(82)103)31-48-21-26-55(100)27-22-48)41-116-115-40-63(95-70(105)56(80)30-47-19-24-54(99)25-20-47)77(112)93-60(35-53-37-85-43-87-53)74(109)92-59(33-46-13-6-3-7-14-46)73(108)96-62-39-114-42-67(102)98(38-52(89-75(62)110)17-10-28-86-79(83)84)65(78(113)94-61(36-66(81)101)71(106)88-44)34-49-18-23-50-15-8-9-16-51(50)29-49/h2-9,11-16,18-27,29,37,43-44,52,56-65,99-100H,10,17,28,30-36,38-42,80H2,1H3,(H2,81,101)(H2,82,103)(H,85,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,83,84,86)/t44-,52-,56-,57-,58-,59+,60-,61-,62+,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427682
(CHEMBL2323529)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:81.85,67.70,5.5,48.50,28.27,13.13,wD:96.102,58.98,63.82,37.38,17.17,1.0,(20.98,-56.13,;22.32,-56.89,;23.65,-56.12,;24.98,-56.88,;24.99,-58.42,;26.32,-56.11,;27.65,-56.88,;27.65,-58.41,;28.99,-59.18,;26.33,-59.18,;26.31,-54.57,;27.64,-53.79,;28.98,-54.56,;27.66,-52.23,;28.99,-51.47,;26.32,-51.47,;26.33,-49.94,;24.99,-49.18,;26.32,-48.42,;27.66,-49.18,;28.99,-48.42,;30.32,-49.19,;31.65,-48.43,;32.99,-49.2,;31.66,-46.88,;24.99,-47.65,;23.67,-46.88,;23.68,-45.34,;22.33,-47.63,;22.33,-49.17,;23.66,-49.94,;23.66,-51.49,;25,-52.25,;25,-53.79,;21.01,-46.87,;19.67,-47.63,;18.32,-46.84,;19.67,-49.17,;18.34,-49.94,;16.98,-49.15,;15.63,-49.94,;14.27,-49.16,;14.27,-47.58,;15.62,-46.81,;16.99,-47.59,;21,-49.94,;15.69,-51.53,;16.96,-52.29,;14.3,-52.31,;12.95,-51.52,;11.38,-51.56,;10.49,-52.85,;8.98,-52.4,;8.95,-50.83,;10.43,-50.31,;14.31,-53.84,;12.98,-54.62,;11.64,-53.85,;12.99,-56.16,;14.32,-56.92,;14.32,-58.46,;15.66,-59.23,;15.67,-60.77,;17,-61.53,;18.34,-60.75,;19.67,-61.52,;19.67,-63.06,;21,-60.74,;22.33,-61.51,;22.34,-63.05,;21.01,-63.82,;21.02,-65.36,;22.35,-66.12,;23.69,-65.34,;23.68,-63.81,;21,-59.21,;22.32,-58.43,;23.66,-59.2,;17.01,-63.07,;18.35,-63.84,;15.68,-63.84,;15.69,-65.38,;17.02,-66.15,;17.03,-67.69,;15.69,-68.46,;15.7,-70,;17.04,-70.76,;17.04,-72.3,;18.37,-69.98,;18.36,-68.45,;14.35,-66.16,;14.36,-67.7,;13.02,-65.39,;11.65,-56.93,;11.66,-58.48,;13,-59.24,;10.33,-59.24,;8.99,-58.48,;10.34,-60.78,;9,-61.56,;7.67,-60.8,;6.34,-61.57,;6.34,-63.11,;5,-63.88,;7.67,-63.89,;9.01,-63.11,)| Show InChI InChI=1S/C69H89N19O15S3/c1-37-59(94)81-49(26-39-10-5-3-6-11-39)63(98)87-55(67(102)80-48(58(72)93)25-42-17-21-46(90)22-18-42)34-106-105-33-54(85-61(96)47(70)24-41-15-19-45(89)20-16-41)68(103)84-51(28-44-30-75-36-77-44)65(100)83-50(27-40-12-7-4-8-13-40)64(99)86-53-32-104-35-57(92)88(31-43(79-66(53)101)14-9-23-76-69(73)74)38(2)60(95)82-52(29-56(71)91)62(97)78-37/h3-8,10-13,15-22,30,36-38,43,47-55,89-90H,9,14,23-29,31-35,70H2,1-2H3,(H2,71,91)(H2,72,93)(H,75,77)(H,78,97)(H,79,101)(H,80,102)(H,81,94)(H,82,95)(H,83,100)(H,84,103)(H,85,96)(H,86,99)(H,87,98)(H4,73,74,76)/t37-,38-,43-,47-,48-,49-,50+,51-,52-,53+,54-,55-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.23E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427691
(CHEMBL2323790)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:87.93,73.78,5.5,37.38,13.13,57.65,wD:102.110,64.106,69.90,46.49,26.28,1.0,(17.33,-11.78,;18.68,-12.54,;20,-11.77,;21.34,-12.53,;21.35,-14.07,;22.68,-11.76,;24.01,-12.53,;24.01,-14.07,;25.35,-14.83,;22.69,-14.84,;22.67,-10.22,;24,-9.44,;25.34,-10.21,;24.02,-7.88,;25.35,-7.12,;26.64,-7.97,;28.07,-7.44,;29.02,-8.65,;28.17,-9.93,;28.55,-11.41,;27.46,-12.48,;25.97,-12.07,;25.6,-10.59,;26.69,-9.51,;22.67,-7.12,;22.68,-5.58,;21.35,-4.82,;22.68,-4.06,;24.02,-4.83,;25.35,-4.06,;26.68,-4.84,;28.02,-4.07,;29.36,-4.85,;28.03,-2.52,;21.35,-3.29,;20.03,-2.52,;20.04,-.97,;18.68,-3.27,;18.68,-4.81,;20.02,-5.58,;20.02,-7.13,;21.36,-7.9,;21.36,-9.44,;17.36,-2.51,;16.03,-3.27,;14.7,-2.5,;16.03,-4.81,;14.69,-5.58,;13.35,-4.8,;13.36,-3.27,;12.04,-2.49,;10.69,-3.26,;10.7,-4.8,;12.03,-5.58,;17.35,-5.59,;12.54,-11.3,;11.5,-12.48,;12.04,-9.81,;12.93,-8.55,;12.01,-7.31,;10.54,-7.81,;10.56,-9.35,;9.32,-10.27,;7.99,-9.5,;9.33,-11.81,;10.67,-12.57,;10.67,-14.11,;12.01,-14.88,;12.01,-16.42,;13.35,-17.18,;14.69,-16.41,;16.02,-17.18,;16.02,-18.72,;17.35,-16.4,;18.69,-17.17,;18.7,-18.71,;17.36,-19.48,;17.37,-21.02,;18.71,-21.78,;20.04,-21,;20.03,-19.47,;17.35,-14.86,;18.68,-14.08,;20.01,-14.85,;13.36,-18.72,;14.7,-19.5,;12.02,-19.5,;12.03,-21.04,;13.37,-21.81,;13.38,-23.35,;12.04,-24.12,;12.05,-25.66,;13.39,-26.43,;13.39,-27.97,;14.72,-25.64,;14.71,-24.11,;10.7,-21.82,;10.71,-23.36,;9.36,-21.05,;8,-12.58,;8.01,-14.13,;9.34,-14.89,;6.67,-14.9,;5.33,-14.14,;6.68,-16.44,;5.34,-17.22,;4.01,-16.46,;2.68,-17.23,;2.68,-18.77,;1.34,-19.54,;4.01,-19.54,;5.35,-18.76,)| Show InChI InChI=1S/C76H94N18O15S3/c1-42-66(100)87-55(32-43-12-4-2-5-13-43)69(103)91-59(72(106)86-54(65(79)99)31-46-22-26-50(96)27-23-46)39-111-112-40-60(92-67(101)52(77)30-45-20-24-49(95)25-21-45)75(109)93-29-11-19-61(93)73(107)88-56(33-44-14-6-3-7-15-44)70(104)90-58-38-110-41-64(98)94(37-48(85-71(58)105)16-10-28-82-76(80)81)62(34-47-36-83-53-18-9-8-17-51(47)53)74(108)89-57(35-63(78)97)68(102)84-42/h2-9,12-15,17-18,20-27,36,42,48,52,54-62,83,95-96H,10-11,16,19,28-35,37-41,77H2,1H3,(H2,78,97)(H2,79,99)(H,84,102)(H,85,105)(H,86,106)(H,87,100)(H,88,107)(H,89,108)(H,90,104)(H,91,103)(H,92,101)(H4,80,81,82)/t42-,48-,52-,54-,55-,56+,57-,58+,59-,60-,61-,62-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427684
(CHEMBL2323799)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,26.28,1.0,(17.32,-11.76,;18.66,-12.52,;19.99,-11.75,;21.32,-12.52,;21.33,-14.06,;22.66,-11.74,;23.99,-12.51,;23.99,-14.05,;25.33,-14.81,;22.67,-14.82,;22.65,-10.2,;23.98,-9.42,;25.32,-10.19,;24,-7.87,;25.33,-7.11,;26.62,-7.96,;28.05,-7.43,;29,-8.64,;28.15,-9.92,;28.53,-11.39,;27.44,-12.46,;25.95,-12.06,;25.58,-10.57,;26.67,-9.5,;22.66,-7.11,;22.67,-5.57,;21.33,-4.81,;22.66,-4.05,;24.02,-4.84,;25.38,-4.06,;26.74,-4.86,;28.1,-4.08,;29.46,-4.87,;30.82,-4.1,;29.45,-6.45,;21.33,-3.28,;20.01,-2.51,;20.02,-.97,;18.67,-3.26,;18.67,-4.8,;20,-5.57,;20,-7.12,;21.34,-7.89,;21.34,-9.42,;17.35,-2.5,;16.01,-3.26,;14.66,-2.47,;16.01,-4.8,;14.68,-5.57,;13.32,-4.78,;11.97,-5.57,;10.61,-4.79,;10.61,-3.21,;11.96,-2.44,;13.33,-3.22,;17.34,-5.58,;12.03,-7.16,;13.3,-7.92,;10.64,-7.94,;9.29,-7.16,;7.72,-7.19,;6.82,-8.48,;5.32,-8.03,;5.28,-6.46,;6.77,-5.94,;10.65,-9.48,;9.32,-10.25,;7.98,-9.49,;9.32,-11.79,;10.66,-12.55,;10.66,-14.09,;12,-14.86,;12.01,-16.4,;13.34,-17.16,;14.68,-16.39,;16.01,-17.16,;16.01,-18.69,;17.34,-16.38,;18.67,-17.15,;18.68,-18.69,;17.35,-19.46,;17.36,-20.99,;18.69,-21.76,;20.03,-20.98,;20.02,-19.44,;17.34,-14.84,;18.66,-14.06,;20,-14.83,;13.35,-18.7,;14.69,-19.47,;12.02,-19.48,;12.02,-21.02,;13.36,-21.79,;13.37,-23.33,;12.03,-24.1,;12.04,-25.63,;13.38,-26.4,;13.38,-27.94,;14.71,-25.61,;14.7,-24.08,;10.69,-21.8,;10.7,-23.33,;9.35,-21.03,;7.99,-12.56,;8,-14.11,;9.33,-14.87,;6.66,-14.88,;5.33,-14.12,;6.67,-16.42,;5.34,-17.19,;4.01,-16.43,;2.67,-17.2,;2.68,-18.74,;1.34,-19.52,;4.01,-19.52,;5.35,-18.74,)| Show InChI InChI=1S/C78H96N20O15S3/c1-43-68(104)91-57(30-44-12-4-2-5-13-44)71(107)97-63(75(111)90-56(67(81)103)29-47-21-25-52(100)26-22-47)40-116-115-39-62(95-69(105)54(79)28-46-19-23-51(99)24-20-46)76(112)93-59(33-50-36-84-42-87-50)73(109)92-58(31-45-14-6-3-7-15-45)72(108)96-61-38-114-41-66(102)98(37-49(89-74(61)110)16-10-11-27-85-78(82)83)64(32-48-35-86-55-18-9-8-17-53(48)55)77(113)94-60(34-65(80)101)70(106)88-43/h2-9,12-15,17-26,35-36,42-43,49,54,56-64,86,99-100H,10-11,16,27-34,37-41,79H2,1H3,(H2,80,101)(H2,81,103)(H,84,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,82,83,85)/t43-,49-,54-,56-,57-,58+,59-,60-,61+,62-,63-,64-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50339347
((S)-cis-(2S,5S,8S,11S,14R,19R,22S,25R,28S,31S)-22-...)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:1.0,37.38,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,26.28,90.96,105.113,(15.52,-30.42,;16.84,-29.65,;18.15,-30.42,;18.16,-31.93,;16.84,-32.7,;19.48,-32.7,;20.79,-31.94,;20.79,-30.41,;19.47,-29.65,;22.11,-29.64,;19.49,-34.23,;20.81,-34.97,;22.13,-34.2,;20.82,-36.51,;22.33,-36.74,;22.88,-38.16,;22.06,-39.45,;23.03,-40.63,;24.45,-40.08,;25.81,-40.76,;27.09,-39.93,;26.99,-38.4,;25.64,-37.72,;24.36,-38.55,;19.51,-37.28,;18.15,-36.56,;16.86,-37.39,;16.79,-35.85,;15.42,-35.09,;15.4,-33.53,;14.04,-32.76,;12.69,-33.55,;11.33,-32.79,;12.71,-35.12,;15.51,-36.68,;14.22,-37.5,;12.87,-36.8,;14.3,-39.04,;15.65,-39.74,;16.93,-38.91,;18.27,-39.62,;19.57,-38.81,;20.95,-39.55,;13.01,-39.86,;11.62,-39.15,;11.54,-37.59,;10.29,-39.98,;10.26,-41.55,;11.63,-42.31,;11.65,-43.87,;13.01,-44.64,;14.35,-43.84,;14.33,-42.26,;12.96,-41.51,;8.9,-39.25,;7.6,-40.13,;7.65,-41.7,;6.28,-39.33,;5.04,-40.22,;5.02,-41.75,;3.78,-42.63,;4.23,-44.09,;5.75,-44.1,;6.24,-42.65,;6.3,-37.8,;4.99,-37.01,;3.65,-37.75,;5.02,-35.46,;6.41,-34.73,;6.47,-33.17,;14.32,-29.68,;14.29,-28.11,;12.92,-27.35,;12.89,-25.82,;14.2,-25.03,;14.21,-23.47,;15.5,-25.84,;16.81,-25.04,;16.77,-23.52,;15.43,-22.79,;15.39,-21.27,;16.7,-20.47,;18.04,-21.2,;18.07,-22.72,;15.51,-27.37,;16.83,-28.11,;18.11,-27.29,;11.58,-28.17,;11.61,-29.73,;10.21,-27.41,;8.86,-28.21,;7.5,-27.46,;7.46,-25.89,;8.81,-25.09,;8.78,-23.52,;7.41,-22.76,;7.38,-21.2,;6.06,-23.58,;6.1,-25.14,;8.89,-29.78,;10.26,-30.53,;7.56,-30.59,;3.69,-34.64,;3.74,-33.07,;5.11,-32.33,;2.41,-32.25,;2.45,-30.69,;1.02,-33,;-.31,-32.17,;-.25,-30.61,;-1.58,-29.79,;-2.96,-30.52,;-4.3,-29.71,;-3,-32.1,;-1.67,-32.92,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(29-43-11-4-2-5-12-43)70(106)96-62(74(110)89-55(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)92-58(32-49-35-83-41-86-49)72(108)91-57(30-44-13-6-3-7-14-44)71(107)95-60-37-113-40-65(101)97(36-48(88-73(60)109)15-10-26-84-77(81)82)63(31-47-34-85-54-17-9-8-16-52(47)54)76(112)93-59(33-64(79)100)69(105)87-42/h2-9,11-14,16-25,34-35,41-42,48,53,55-63,85,98-99H,10,15,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,108)(H,92,111)(H,93,112)(H,94,104)(H,95,107)(H,96,106)(H4,81,82,84)/t42-,48-,53-,55-,56-,57+,58-,59-,60+,61-,62-,63-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427693
(CHEMBL2323796)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:96.103,82.88,5.5,63.68,37.38,13.13,wD:111.120,73.116,78.100,46.49,26.28,1.0,(24.22,-12.49,;25.56,-13.25,;26.88,-12.48,;28.22,-13.24,;28.23,-14.78,;29.55,-12.46,;30.89,-13.23,;30.89,-14.77,;32.23,-15.53,;29.56,-15.54,;29.55,-10.93,;30.88,-10.15,;32.21,-10.92,;30.9,-8.59,;32.22,-7.83,;33.51,-8.68,;34.95,-8.15,;35.9,-9.36,;35.04,-10.64,;35.42,-12.12,;34.33,-13.19,;32.85,-12.78,;32.48,-11.3,;33.56,-10.22,;29.55,-7.83,;29.56,-6.3,;28.22,-5.53,;29.56,-4.77,;30.9,-5.54,;32.22,-4.78,;33.56,-5.55,;34.89,-4.79,;36.23,-5.56,;34.9,-3.24,;28.23,-4.01,;26.91,-3.23,;26.92,-1.7,;25.56,-3.99,;25.57,-5.53,;26.9,-6.29,;26.9,-7.84,;28.24,-8.61,;28.24,-10.15,;24.25,-3.23,;22.91,-3.99,;21.55,-3.2,;22.91,-5.53,;21.57,-6.3,;20.22,-5.51,;18.87,-6.3,;17.51,-5.52,;17.5,-3.94,;18.86,-3.16,;20.23,-3.95,;16.14,-3.15,;16.15,-1.58,;14.79,-.79,;13.43,-1.57,;13.43,-3.15,;14.79,-3.93,;24.24,-6.3,;18.93,-7.89,;20.2,-8.65,;17.54,-8.66,;16.19,-7.88,;14.62,-7.92,;13.72,-9.21,;12.22,-8.76,;12.18,-7.19,;13.66,-6.67,;17.55,-10.2,;16.21,-10.98,;14.88,-10.21,;16.22,-12.52,;17.56,-13.28,;17.56,-14.82,;18.89,-15.59,;18.9,-17.13,;20.24,-17.89,;21.57,-17.11,;22.91,-17.88,;22.91,-19.42,;24.23,-17.1,;25.57,-17.87,;25.58,-19.41,;24.25,-20.18,;24.25,-21.72,;25.59,-22.48,;26.92,-21.7,;26.91,-20.17,;24.23,-15.56,;25.56,-14.79,;26.89,-15.56,;20.25,-19.43,;21.58,-20.2,;18.91,-20.2,;18.92,-21.74,;20.26,-22.51,;20.27,-24.05,;18.93,-24.82,;18.94,-26.36,;20.27,-27.12,;20.28,-28.66,;21.61,-26.34,;21.6,-24.81,;17.59,-22.52,;17.6,-24.06,;16.25,-21.75,;14.89,-13.29,;14.9,-14.83,;16.23,-15.59,;13.56,-15.6,;12.23,-14.84,;13.57,-17.14,;12.24,-17.92,;10.9,-17.16,;9.57,-17.93,;9.58,-19.47,;8.24,-20.24,;10.91,-20.24,;12.25,-19.46,)| Show InChI InChI=1S/C83H98N20O15S3/c1-46-73(109)96-62(33-47-11-4-2-5-12-47)76(112)102-68(80(116)95-61(72(86)108)32-50-22-28-57(105)29-23-50)43-121-120-42-67(100-74(110)59(84)31-48-20-26-56(104)27-21-48)81(117)98-64(36-55-39-89-45-92-55)78(114)97-63(34-49-18-24-52(25-19-49)51-13-6-3-7-14-51)77(113)101-66-41-119-44-71(107)103(40-54(94-79(66)115)15-10-30-90-83(87)88)69(35-53-38-91-60-17-9-8-16-58(53)60)82(118)99-65(37-70(85)106)75(111)93-46/h2-9,11-14,16-29,38-39,45-46,54,59,61-69,91,104-105H,10,15,30-37,40-44,84H2,1H3,(H2,85,106)(H2,86,108)(H,89,92)(H,93,111)(H,94,115)(H,95,116)(H,96,109)(H,97,114)(H,98,117)(H,99,118)(H,100,110)(H,101,113)(H,102,112)(H4,87,88,90)/t46-,54-,59-,61-,62-,63+,64-,65-,66+,67-,68-,69-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 760 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427694
(CHEMBL2323794)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:94.101,80.86,5.5,61.66,37.38,13.13,wD:109.118,71.114,76.98,46.49,26.28,1.0,(34.6,-27.15,;35.95,-27.92,;37.27,-27.15,;38.61,-27.91,;38.62,-29.45,;39.94,-27.13,;41.28,-27.9,;41.28,-29.44,;42.61,-30.2,;39.95,-30.21,;39.93,-25.59,;41.27,-24.82,;42.6,-25.58,;41.28,-23.26,;42.61,-22.5,;43.9,-23.35,;45.33,-22.82,;46.28,-24.03,;45.43,-25.31,;45.81,-26.78,;44.72,-27.85,;43.24,-27.45,;42.86,-25.96,;43.95,-24.89,;39.94,-22.5,;39.95,-20.97,;38.61,-20.2,;39.95,-19.44,;41.28,-20.21,;42.61,-19.44,;43.95,-20.22,;45.28,-19.45,;46.61,-20.23,;45.29,-17.91,;38.62,-18.68,;37.29,-17.9,;37.3,-16.36,;35.95,-18.66,;35.95,-20.2,;37.29,-20.96,;37.29,-22.51,;38.62,-23.28,;38.63,-24.82,;34.63,-17.89,;33.3,-18.65,;31.94,-17.87,;33.3,-20.19,;31.96,-20.96,;30.6,-20.18,;29.25,-20.96,;27.9,-20.19,;27.89,-18.61,;26.54,-17.83,;26.54,-16.27,;27.9,-15.48,;29.25,-16.27,;29.25,-17.83,;30.61,-18.62,;34.62,-20.97,;29.31,-22.55,;30.59,-23.32,;27.93,-23.33,;26.58,-22.55,;25.01,-22.58,;24.11,-23.88,;22.61,-23.42,;22.57,-21.85,;24.05,-21.34,;27.94,-24.87,;26.6,-25.65,;25.27,-24.88,;26.61,-27.18,;27.95,-27.95,;27.95,-29.48,;29.28,-30.25,;29.29,-31.79,;30.63,-32.55,;31.96,-31.78,;33.3,-32.55,;33.3,-34.08,;34.62,-31.77,;35.96,-32.54,;35.97,-34.08,;34.63,-34.85,;34.64,-36.38,;35.98,-37.15,;37.31,-36.37,;37.3,-34.83,;34.62,-30.23,;35.95,-29.45,;37.28,-30.22,;30.64,-34.09,;31.97,-34.86,;29.3,-34.87,;29.31,-36.41,;30.65,-37.18,;30.65,-38.72,;29.32,-39.49,;29.32,-41.02,;30.66,-41.79,;30.66,-43.32,;31.99,-41,;31.98,-39.47,;27.98,-37.18,;27.99,-38.72,;26.64,-36.42,;25.28,-27.95,;25.29,-29.5,;26.62,-30.26,;23.95,-30.27,;22.62,-29.51,;23.96,-31.81,;22.63,-32.58,;21.29,-31.82,;19.96,-32.59,;19.97,-34.13,;18.63,-34.91,;21.3,-34.91,;22.63,-34.13,)| Show InChI InChI=1S/C81H96N20O15S3/c1-44-71(107)94-60(31-45-10-3-2-4-11-45)74(110)100-66(78(114)93-59(70(84)106)30-47-20-25-55(103)26-21-47)41-119-118-40-65(98-72(108)57(82)29-46-18-23-54(102)24-19-46)79(115)96-62(34-53-37-87-43-90-53)76(112)95-61(32-48-17-22-49-12-5-6-13-50(49)28-48)75(111)99-64-39-117-42-69(105)101(38-52(92-77(64)113)14-9-27-88-81(85)86)67(33-51-36-89-58-16-8-7-15-56(51)58)80(116)97-63(35-68(83)104)73(109)91-44/h2-8,10-13,15-26,28,36-37,43-44,52,57,59-67,89,102-103H,9,14,27,29-35,38-42,82H2,1H3,(H2,83,104)(H2,84,106)(H,87,90)(H,91,109)(H,92,113)(H,93,114)(H,94,107)(H,95,112)(H,96,115)(H,97,116)(H,98,108)(H,99,111)(H,100,110)(H4,85,86,88)/t44-,52-,57-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427688
(CHEMBL2323793)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:94.101,80.86,5.5,61.66,37.38,13.13,wD:109.118,71.114,76.98,46.49,26.28,1.0,(17.32,-12.48,;18.66,-13.24,;19.99,-12.47,;21.32,-13.23,;21.33,-14.77,;22.66,-12.45,;23.99,-13.22,;23.99,-14.76,;25.33,-15.52,;22.67,-15.53,;22.65,-10.91,;23.98,-10.14,;25.32,-10.91,;24,-8.58,;25.32,-7.82,;26.61,-8.67,;28.05,-8.14,;29,-9.35,;28.15,-10.63,;28.53,-12.11,;27.43,-13.18,;25.95,-12.77,;25.58,-11.29,;26.67,-10.21,;22.66,-7.82,;22.66,-6.29,;21.33,-5.52,;22.66,-4.76,;24,-5.53,;25.32,-4.77,;26.66,-5.54,;27.99,-4.78,;29.33,-5.55,;28,-3.23,;21.33,-4,;20.01,-3.22,;20.02,-1.68,;18.67,-3.98,;18.67,-5.52,;20,-6.28,;20,-7.83,;21.34,-8.6,;21.34,-10.14,;17.35,-3.21,;16.01,-3.98,;14.65,-4.75,;16.01,-5.52,;14.68,-6.28,;13.32,-5.5,;11.97,-6.29,;10.61,-5.51,;10.6,-3.93,;11.97,-3.14,;11.97,-1.58,;13.33,-.79,;14.7,-1.58,;14.69,-3.16,;13.33,-3.94,;17.34,-6.29,;12.03,-7.88,;13.3,-8.64,;10.64,-8.65,;9.29,-7.87,;7.72,-7.9,;6.82,-9.2,;5.32,-8.75,;5.28,-7.18,;6.77,-6.66,;10.65,-10.19,;9.32,-10.97,;7.98,-10.2,;9.32,-12.51,;10.66,-13.27,;10.66,-14.81,;12,-15.58,;12.01,-17.12,;13.34,-17.88,;14.67,-17.1,;16.01,-17.87,;16.01,-19.41,;17.34,-17.09,;18.67,-17.86,;18.68,-19.4,;17.35,-20.17,;17.36,-21.71,;18.69,-22.47,;20.03,-21.69,;20.02,-20.16,;17.34,-15.55,;18.66,-14.78,;20,-15.55,;13.35,-19.42,;14.68,-20.19,;12.01,-20.19,;12.02,-21.73,;13.36,-22.5,;13.37,-24.04,;12.03,-24.81,;12.04,-26.35,;13.37,-27.11,;13.38,-28.65,;14.71,-26.33,;14.7,-24.8,;10.69,-22.51,;10.7,-24.05,;9.35,-21.74,;7.99,-13.28,;8,-14.82,;9.33,-15.58,;6.66,-15.59,;5.33,-14.83,;6.67,-17.13,;5.34,-17.91,;4.01,-17.15,;2.67,-17.92,;2.68,-19.46,;1.34,-20.23,;4.01,-20.23,;5.35,-19.45,)| Show InChI InChI=1S/C81H96N20O15S3/c1-44-71(107)94-60(31-45-11-3-2-4-12-45)74(110)100-66(78(114)93-59(70(84)106)30-47-22-26-54(103)27-23-47)41-119-118-40-65(98-72(108)57(82)29-46-20-24-53(102)25-21-46)79(115)96-62(34-52-37-87-43-90-52)76(112)95-61(32-49-15-9-14-48-13-5-6-17-55(48)49)75(111)99-64-39-117-42-69(105)101(38-51(92-77(64)113)16-10-28-88-81(85)86)67(33-50-36-89-58-19-8-7-18-56(50)58)80(116)97-63(35-68(83)104)73(109)91-44/h2-9,11-15,17-27,36-37,43-44,51,57,59-67,89,102-103H,10,16,28-35,38-42,82H2,1H3,(H2,83,104)(H2,84,106)(H,87,90)(H,91,109)(H,92,113)(H,93,114)(H,94,107)(H,95,112)(H,96,115)(H,97,116)(H,98,108)(H,99,111)(H,100,110)(H4,85,86,88)/t44-,51-,57-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50339347
((S)-cis-(2S,5S,8S,11S,14R,19R,22S,25R,28S,31S)-22-...)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:1.0,37.38,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,26.28,90.96,105.113,(15.52,-30.42,;16.84,-29.65,;18.15,-30.42,;18.16,-31.93,;16.84,-32.7,;19.48,-32.7,;20.79,-31.94,;20.79,-30.41,;19.47,-29.65,;22.11,-29.64,;19.49,-34.23,;20.81,-34.97,;22.13,-34.2,;20.82,-36.51,;22.33,-36.74,;22.88,-38.16,;22.06,-39.45,;23.03,-40.63,;24.45,-40.08,;25.81,-40.76,;27.09,-39.93,;26.99,-38.4,;25.64,-37.72,;24.36,-38.55,;19.51,-37.28,;18.15,-36.56,;16.86,-37.39,;16.79,-35.85,;15.42,-35.09,;15.4,-33.53,;14.04,-32.76,;12.69,-33.55,;11.33,-32.79,;12.71,-35.12,;15.51,-36.68,;14.22,-37.5,;12.87,-36.8,;14.3,-39.04,;15.65,-39.74,;16.93,-38.91,;18.27,-39.62,;19.57,-38.81,;20.95,-39.55,;13.01,-39.86,;11.62,-39.15,;11.54,-37.59,;10.29,-39.98,;10.26,-41.55,;11.63,-42.31,;11.65,-43.87,;13.01,-44.64,;14.35,-43.84,;14.33,-42.26,;12.96,-41.51,;8.9,-39.25,;7.6,-40.13,;7.65,-41.7,;6.28,-39.33,;5.04,-40.22,;5.02,-41.75,;3.78,-42.63,;4.23,-44.09,;5.75,-44.1,;6.24,-42.65,;6.3,-37.8,;4.99,-37.01,;3.65,-37.75,;5.02,-35.46,;6.41,-34.73,;6.47,-33.17,;14.32,-29.68,;14.29,-28.11,;12.92,-27.35,;12.89,-25.82,;14.2,-25.03,;14.21,-23.47,;15.5,-25.84,;16.81,-25.04,;16.77,-23.52,;15.43,-22.79,;15.39,-21.27,;16.7,-20.47,;18.04,-21.2,;18.07,-22.72,;15.51,-27.37,;16.83,-28.11,;18.11,-27.29,;11.58,-28.17,;11.61,-29.73,;10.21,-27.41,;8.86,-28.21,;7.5,-27.46,;7.46,-25.89,;8.81,-25.09,;8.78,-23.52,;7.41,-22.76,;7.38,-21.2,;6.06,-23.58,;6.1,-25.14,;8.89,-29.78,;10.26,-30.53,;7.56,-30.59,;3.69,-34.64,;3.74,-33.07,;5.11,-32.33,;2.41,-32.25,;2.45,-30.69,;1.02,-33,;-.31,-32.17,;-.25,-30.61,;-1.58,-29.79,;-2.96,-30.52,;-4.3,-29.71,;-3,-32.1,;-1.67,-32.92,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(29-43-11-4-2-5-12-43)70(106)96-62(74(110)89-55(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)92-58(32-49-35-83-41-86-49)72(108)91-57(30-44-13-6-3-7-14-44)71(107)95-60-37-113-40-65(101)97(36-48(88-73(60)109)15-10-26-84-77(81)82)63(31-47-34-85-54-17-9-8-16-52(47)54)76(112)93-59(33-64(79)100)69(105)87-42/h2-9,11-14,16-25,34-35,41-42,48,53,55-63,85,98-99H,10,15,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,108)(H,92,111)(H,93,112)(H,94,104)(H,95,107)(H,96,106)(H4,81,82,84)/t42-,48-,53-,55-,56-,57+,58-,59-,60+,61-,62-,63-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 324 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427679
(CHEMBL2323787)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:93.99,79.84,5.5,60.64,40.41,13.13,wD:108.116,70.112,75.96,49.52,29.31,1.0,(17.31,-55.49,;18.65,-56.25,;19.97,-55.48,;21.31,-56.24,;21.32,-57.78,;22.64,-55.47,;23.97,-56.24,;23.98,-57.77,;25.31,-58.54,;22.65,-58.54,;22.63,-53.93,;23.97,-53.15,;25.3,-53.92,;23.98,-51.6,;25.31,-50.84,;26.66,-51.63,;26.65,-53.19,;28.01,-53.98,;29.37,-53.2,;29.37,-51.62,;28.01,-50.84,;30.72,-53.98,;30.72,-55.55,;32.08,-56.33,;33.44,-55.55,;33.43,-53.97,;32.08,-53.19,;22.64,-50.84,;22.65,-49.31,;21.31,-48.54,;22.65,-47.78,;23.98,-48.55,;25.31,-47.79,;26.64,-48.56,;27.97,-47.8,;29.31,-48.57,;27.98,-46.25,;21.32,-47.02,;19.99,-46.25,;20,-44.71,;18.65,-47,;18.65,-48.54,;19.99,-49.3,;19.99,-50.85,;21.32,-51.62,;21.33,-53.16,;17.34,-46.24,;16,-47,;14.64,-46.21,;16,-48.54,;14.67,-49.3,;13.31,-48.52,;11.96,-49.31,;10.6,-48.53,;10.6,-46.95,;11.95,-46.17,;13.32,-46.96,;17.33,-49.31,;12.02,-50.89,;13.29,-51.66,;10.63,-51.67,;9.29,-50.89,;7.72,-50.92,;6.82,-52.22,;5.32,-51.76,;5.28,-50.2,;6.76,-49.68,;10.64,-53.21,;9.31,-53.98,;7.97,-53.22,;9.32,-55.52,;10.65,-56.28,;10.65,-57.82,;11.99,-58.59,;12,-60.13,;13.33,-60.89,;14.66,-60.11,;16,-60.88,;16,-62.42,;17.32,-60.1,;18.66,-60.87,;18.67,-62.41,;17.34,-63.18,;17.34,-64.72,;18.68,-65.48,;20.01,-64.7,;20,-63.17,;17.32,-58.57,;18.65,-57.79,;19.98,-58.56,;13.34,-62.43,;14.67,-63.19,;12.01,-63.2,;12.02,-64.74,;13.35,-65.51,;13.36,-67.05,;12.02,-67.82,;12.03,-69.35,;13.37,-70.11,;13.37,-71.65,;14.7,-69.33,;14.69,-67.8,;10.68,-65.52,;10.69,-67.05,;9.35,-64.75,;7.99,-56.29,;7.99,-57.84,;9.33,-58.6,;6.66,-58.6,;5.33,-57.84,;6.67,-60.14,;5.34,-60.92,;4,-60.16,;2.67,-60.93,;2.68,-62.47,;1.34,-63.24,;4.01,-63.24,;5.34,-62.46,)| Show InChI InChI=1S/C81H97N19O15S3/c1-46-71(106)93-60(34-47-12-5-2-6-13-47)74(109)99-66(78(113)92-59(70(84)105)33-50-23-29-57(102)30-24-50)43-118-117-42-65(97-72(107)58(82)32-49-21-27-56(101)28-22-49)79(114)95-62(37-55-39-87-45-89-55)76(111)94-61(35-48-14-7-3-8-15-48)75(110)98-64-41-116-44-69(104)100(40-54(91-77(64)112)18-11-31-88-81(85)86)67(80(115)96-63(38-68(83)103)73(108)90-46)36-51-19-25-53(26-20-51)52-16-9-4-10-17-52/h2-10,12-17,19-30,39,45-46,54,58-67,101-102H,11,18,31-38,40-44,82H2,1H3,(H2,83,103)(H2,84,105)(H,87,89)(H,90,108)(H,91,112)(H,92,113)(H,93,106)(H,94,111)(H,95,114)(H,96,115)(H,97,107)(H,98,110)(H,99,109)(H4,85,86,88)/t46-,54-,58-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427684
(CHEMBL2323799)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,26.28,1.0,(17.32,-11.76,;18.66,-12.52,;19.99,-11.75,;21.32,-12.52,;21.33,-14.06,;22.66,-11.74,;23.99,-12.51,;23.99,-14.05,;25.33,-14.81,;22.67,-14.82,;22.65,-10.2,;23.98,-9.42,;25.32,-10.19,;24,-7.87,;25.33,-7.11,;26.62,-7.96,;28.05,-7.43,;29,-8.64,;28.15,-9.92,;28.53,-11.39,;27.44,-12.46,;25.95,-12.06,;25.58,-10.57,;26.67,-9.5,;22.66,-7.11,;22.67,-5.57,;21.33,-4.81,;22.66,-4.05,;24.02,-4.84,;25.38,-4.06,;26.74,-4.86,;28.1,-4.08,;29.46,-4.87,;30.82,-4.1,;29.45,-6.45,;21.33,-3.28,;20.01,-2.51,;20.02,-.97,;18.67,-3.26,;18.67,-4.8,;20,-5.57,;20,-7.12,;21.34,-7.89,;21.34,-9.42,;17.35,-2.5,;16.01,-3.26,;14.66,-2.47,;16.01,-4.8,;14.68,-5.57,;13.32,-4.78,;11.97,-5.57,;10.61,-4.79,;10.61,-3.21,;11.96,-2.44,;13.33,-3.22,;17.34,-5.58,;12.03,-7.16,;13.3,-7.92,;10.64,-7.94,;9.29,-7.16,;7.72,-7.19,;6.82,-8.48,;5.32,-8.03,;5.28,-6.46,;6.77,-5.94,;10.65,-9.48,;9.32,-10.25,;7.98,-9.49,;9.32,-11.79,;10.66,-12.55,;10.66,-14.09,;12,-14.86,;12.01,-16.4,;13.34,-17.16,;14.68,-16.39,;16.01,-17.16,;16.01,-18.69,;17.34,-16.38,;18.67,-17.15,;18.68,-18.69,;17.35,-19.46,;17.36,-20.99,;18.69,-21.76,;20.03,-20.98,;20.02,-19.44,;17.34,-14.84,;18.66,-14.06,;20,-14.83,;13.35,-18.7,;14.69,-19.47,;12.02,-19.48,;12.02,-21.02,;13.36,-21.79,;13.37,-23.33,;12.03,-24.1,;12.04,-25.63,;13.38,-26.4,;13.38,-27.94,;14.71,-25.61,;14.7,-24.08,;10.69,-21.8,;10.7,-23.33,;9.35,-21.03,;7.99,-12.56,;8,-14.11,;9.33,-14.87,;6.66,-14.88,;5.33,-14.12,;6.67,-16.42,;5.34,-17.19,;4.01,-16.43,;2.67,-17.2,;2.68,-18.74,;1.34,-19.52,;4.01,-19.52,;5.35,-18.74,)| Show InChI InChI=1S/C78H96N20O15S3/c1-43-68(104)91-57(30-44-12-4-2-5-13-44)71(107)97-63(75(111)90-56(67(81)103)29-47-21-25-52(100)26-22-47)40-116-115-39-62(95-69(105)54(79)28-46-19-23-51(99)24-20-46)76(112)93-59(33-50-36-84-42-87-50)73(109)92-58(31-45-14-6-3-7-15-45)72(108)96-61-38-114-41-66(102)98(37-49(89-74(61)110)16-10-11-27-85-78(82)83)64(32-48-35-86-55-18-9-8-17-53(48)55)77(113)94-60(34-65(80)101)70(106)88-43/h2-9,12-15,17-26,35-36,42-43,49,54,56-64,86,99-100H,10-11,16,27-34,37-41,79H2,1H3,(H2,80,101)(H2,81,103)(H,84,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,82,83,85)/t43-,49-,54-,56-,57-,58+,59-,60-,61+,62-,63-,64-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427688
(CHEMBL2323793)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:94.101,80.86,5.5,61.66,37.38,13.13,wD:109.118,71.114,76.98,46.49,26.28,1.0,(17.32,-12.48,;18.66,-13.24,;19.99,-12.47,;21.32,-13.23,;21.33,-14.77,;22.66,-12.45,;23.99,-13.22,;23.99,-14.76,;25.33,-15.52,;22.67,-15.53,;22.65,-10.91,;23.98,-10.14,;25.32,-10.91,;24,-8.58,;25.32,-7.82,;26.61,-8.67,;28.05,-8.14,;29,-9.35,;28.15,-10.63,;28.53,-12.11,;27.43,-13.18,;25.95,-12.77,;25.58,-11.29,;26.67,-10.21,;22.66,-7.82,;22.66,-6.29,;21.33,-5.52,;22.66,-4.76,;24,-5.53,;25.32,-4.77,;26.66,-5.54,;27.99,-4.78,;29.33,-5.55,;28,-3.23,;21.33,-4,;20.01,-3.22,;20.02,-1.68,;18.67,-3.98,;18.67,-5.52,;20,-6.28,;20,-7.83,;21.34,-8.6,;21.34,-10.14,;17.35,-3.21,;16.01,-3.98,;14.65,-4.75,;16.01,-5.52,;14.68,-6.28,;13.32,-5.5,;11.97,-6.29,;10.61,-5.51,;10.6,-3.93,;11.97,-3.14,;11.97,-1.58,;13.33,-.79,;14.7,-1.58,;14.69,-3.16,;13.33,-3.94,;17.34,-6.29,;12.03,-7.88,;13.3,-8.64,;10.64,-8.65,;9.29,-7.87,;7.72,-7.9,;6.82,-9.2,;5.32,-8.75,;5.28,-7.18,;6.77,-6.66,;10.65,-10.19,;9.32,-10.97,;7.98,-10.2,;9.32,-12.51,;10.66,-13.27,;10.66,-14.81,;12,-15.58,;12.01,-17.12,;13.34,-17.88,;14.67,-17.1,;16.01,-17.87,;16.01,-19.41,;17.34,-17.09,;18.67,-17.86,;18.68,-19.4,;17.35,-20.17,;17.36,-21.71,;18.69,-22.47,;20.03,-21.69,;20.02,-20.16,;17.34,-15.55,;18.66,-14.78,;20,-15.55,;13.35,-19.42,;14.68,-20.19,;12.01,-20.19,;12.02,-21.73,;13.36,-22.5,;13.37,-24.04,;12.03,-24.81,;12.04,-26.35,;13.37,-27.11,;13.38,-28.65,;14.71,-26.33,;14.7,-24.8,;10.69,-22.51,;10.7,-24.05,;9.35,-21.74,;7.99,-13.28,;8,-14.82,;9.33,-15.58,;6.66,-15.59,;5.33,-14.83,;6.67,-17.13,;5.34,-17.91,;4.01,-17.15,;2.67,-17.92,;2.68,-19.46,;1.34,-20.23,;4.01,-20.23,;5.35,-19.45,)| Show InChI InChI=1S/C81H96N20O15S3/c1-44-71(107)94-60(31-45-11-3-2-4-12-45)74(110)100-66(78(114)93-59(70(84)106)30-47-22-26-54(103)27-23-47)41-119-118-40-65(98-72(108)57(82)29-46-20-24-53(102)25-21-46)79(115)96-62(34-52-37-87-43-90-52)76(112)95-61(32-49-15-9-14-48-13-5-6-17-55(48)49)75(111)99-64-39-117-42-69(105)101(38-51(92-77(64)113)16-10-28-88-81(85)86)67(33-50-36-89-58-19-8-7-18-56(50)58)80(116)97-63(35-68(83)104)73(109)91-44/h2-9,11-15,17-27,36-37,43-44,51,57,59-67,89,102-103H,10,16,28-35,38-42,82H2,1H3,(H2,83,104)(H2,84,106)(H,87,90)(H,91,109)(H,92,113)(H,93,114)(H,94,107)(H,95,112)(H,96,115)(H,97,116)(H,98,108)(H,99,111)(H,100,110)(H4,85,86,88)/t44-,51-,57-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427690
(CHEMBL2323791)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:86.92,72.77,5.5,53.57,37.38,13.13,wD:101.109,63.105,68.89,26.28,1.0,46.53,(40.41,-24.22,;41.75,-24.98,;43.08,-24.21,;44.42,-24.97,;44.43,-26.51,;45.75,-24.2,;47.09,-24.97,;47.09,-26.51,;48.43,-27.27,;45.76,-27.28,;45.74,-22.66,;47.08,-21.88,;48.42,-22.65,;47.09,-20.32,;48.42,-19.56,;49.71,-20.41,;51.15,-19.88,;52.1,-21.09,;51.25,-22.37,;51.63,-23.85,;50.53,-24.92,;49.05,-24.51,;48.68,-23.03,;49.77,-21.95,;45.75,-19.56,;45.76,-18.02,;44.42,-17.26,;45.76,-16.5,;47.1,-17.26,;48.42,-16.5,;49.76,-17.28,;51.09,-16.51,;52.43,-17.29,;51.1,-14.96,;44.43,-15.73,;43.1,-14.96,;43.11,-13.42,;41.76,-15.71,;41.75,-17.22,;43.09,-18.02,;43.1,-19.57,;44.43,-20.34,;44.44,-21.88,;40.44,-14.95,;39.07,-15.72,;37.77,-14.94,;38.98,-17.27,;40.26,-18.11,;39.85,-19.59,;38.32,-19.65,;37.79,-18.22,;35.11,-19.61,;36.39,-20.38,;33.73,-20.39,;32.37,-19.62,;32.37,-18.05,;31.09,-17.13,;31.57,-15.63,;33.14,-15.63,;33.63,-17.12,;33.73,-21.93,;32.4,-22.71,;31.06,-21.94,;32.41,-24.25,;33.74,-25.01,;33.75,-26.55,;35.08,-27.32,;35.09,-28.86,;36.43,-29.62,;37.76,-28.85,;39.1,-29.62,;39.1,-31.16,;40.43,-28.84,;41.76,-29.61,;41.77,-31.15,;40.44,-31.92,;40.45,-33.46,;41.79,-34.22,;43.12,-33.44,;43.11,-31.91,;40.43,-27.3,;41.75,-26.52,;43.09,-27.29,;36.44,-31.16,;37.77,-31.93,;35.1,-31.94,;35.11,-33.48,;36.45,-34.25,;36.46,-35.79,;35.12,-36.56,;35.12,-38.1,;36.46,-38.86,;36.47,-40.4,;37.8,-38.08,;37.79,-36.55,;33.77,-34.26,;33.78,-35.8,;32.44,-33.49,;31.07,-25.02,;31.08,-26.57,;32.42,-27.33,;29.75,-27.34,;28.41,-26.57,;29.75,-28.88,;28.42,-29.65,;27.08,-28.89,;25.75,-29.67,;25.76,-31.2,;24.42,-31.98,;27.09,-31.98,;28.43,-31.2,)| Show InChI InChI=1S/C73H92N20O15S3/c1-39-63(99)86-52(27-40-9-3-2-4-10-40)66(102)90-57(68(104)85-51(62(76)98)26-42-17-21-47(95)22-18-42)36-111-110-35-56(89-64(100)49(74)25-41-15-19-46(94)20-16-41)69(105)88-54(29-45-32-79-38-82-45)72(108)92-24-8-14-58(92)70(106)91-55-34-109-37-61(97)93(33-44(84-67(55)103)11-7-23-80-73(77)78)59(28-43-31-81-50-13-6-5-12-48(43)50)71(107)87-53(30-60(75)96)65(101)83-39/h2-6,9-10,12-13,15-22,31-32,38-39,44,49,51-59,81,94-95H,7-8,11,14,23-30,33-37,74H2,1H3,(H2,75,96)(H2,76,98)(H,79,82)(H,83,101)(H,84,103)(H,85,104)(H,86,99)(H,87,107)(H,88,105)(H,89,100)(H,90,102)(H,91,106)(H4,77,78,80)/t39-,44-,49-,51-,52-,53-,54-,55+,56-,57-,58-,59-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427678
(CHEMBL2323788)Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:85.90,14.14,30.31,1.0,62.64,38.39,wD:100.107,5.103,10.87,71.75,51.54,25.26,(29.25,-18.72,;30.6,-19.49,;30.61,-21.03,;29.27,-21.81,;27.94,-21.04,;29.28,-23.35,;30.62,-24.11,;30.62,-25.65,;31.96,-26.42,;31.97,-27.96,;33.3,-28.73,;34.64,-27.95,;35.97,-28.72,;35.98,-30.26,;37.3,-27.94,;38.64,-28.71,;38.65,-30.25,;37.31,-31.02,;37.32,-32.56,;38.66,-33.33,;39.99,-32.54,;39.98,-31.01,;37.3,-26.4,;38.63,-25.62,;39.96,-26.39,;38.63,-24.08,;37.28,-23.32,;39.96,-23.31,;41.29,-24.08,;41.3,-25.62,;42.63,-23.3,;43.96,-24.07,;43.96,-25.61,;45.3,-26.37,;42.64,-26.38,;42.62,-21.76,;43.95,-20.98,;45.29,-21.75,;43.97,-19.42,;45.3,-18.66,;46.59,-19.51,;48.02,-18.98,;48.98,-20.19,;48.12,-21.48,;48.5,-22.95,;47.41,-24.02,;45.92,-23.62,;45.55,-22.13,;46.64,-21.06,;42.63,-18.66,;42.64,-17.13,;41.3,-16.36,;42.63,-15.6,;43.97,-16.37,;45.3,-15.6,;46.63,-16.38,;47.97,-15.61,;49.31,-16.39,;47.98,-14.07,;41.3,-14.84,;39.98,-14.06,;39.99,-12.52,;38.63,-14.82,;38.63,-16.36,;39.97,-17.12,;39.97,-18.67,;41.31,-19.44,;41.31,-20.98,;37.31,-14.05,;35.98,-14.81,;34.65,-14.04,;35.98,-16.35,;34.64,-17.12,;33.3,-16.35,;33.31,-14.81,;31.99,-14.03,;30.64,-14.8,;30.65,-16.35,;31.98,-17.12,;37.3,-17.13,;31.99,-18.72,;33.26,-19.48,;33.31,-30.27,;34.65,-31.04,;31.98,-31.04,;31.98,-32.58,;33.32,-33.35,;33.33,-34.89,;31.99,-35.67,;32,-37.2,;33.34,-37.97,;33.34,-39.51,;34.67,-37.19,;34.66,-35.65,;30.65,-33.36,;30.66,-34.9,;29.31,-32.59,;27.95,-24.12,;27.96,-25.67,;29.29,-26.43,;26.62,-26.44,;25.28,-25.68,;26.63,-27.98,;25.29,-28.76,;23.96,-28,;22.63,-28.77,;22.63,-30.31,;21.29,-31.08,;23.96,-31.09,;25.3,-30.31,)| Show InChI InChI=1S/C74H92N18O15S3/c1-40-64(98)87-55(31-43-14-7-4-8-15-43)69(103)91-59(72(106)85-53(63(77)97)29-45-21-25-49(94)26-22-45)38-110-109-37-58(89-66(100)51(75)28-44-19-23-48(93)24-20-44)70(104)83-41(2)65(99)86-54(30-42-12-5-3-6-13-42)68(102)90-57-36-108-39-62(96)92(35-47(84-71(57)105)16-11-27-80-74(78)79)60(32-46-34-81-52-18-10-9-17-50(46)52)73(107)88-56(33-61(76)95)67(101)82-40/h3-10,12-15,17-26,34,40-41,47,51,53-60,81,93-94H,11,16,27-33,35-39,75H2,1-2H3,(H2,76,95)(H2,77,97)(H,82,101)(H,83,104)(H,84,105)(H,85,106)(H,86,99)(H,87,98)(H,88,107)(H,89,100)(H,90,102)(H,91,103)(H4,78,79,80)/t40-,41-,47-,51-,53-,54+,55-,56-,57+,58-,59-,60-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50339347
((S)-cis-(2S,5S,8S,11S,14R,19R,22S,25R,28S,31S)-22-...)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:1.0,37.38,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,26.28,90.96,105.113,(15.52,-30.42,;16.84,-29.65,;18.15,-30.42,;18.16,-31.93,;16.84,-32.7,;19.48,-32.7,;20.79,-31.94,;20.79,-30.41,;19.47,-29.65,;22.11,-29.64,;19.49,-34.23,;20.81,-34.97,;22.13,-34.2,;20.82,-36.51,;22.33,-36.74,;22.88,-38.16,;22.06,-39.45,;23.03,-40.63,;24.45,-40.08,;25.81,-40.76,;27.09,-39.93,;26.99,-38.4,;25.64,-37.72,;24.36,-38.55,;19.51,-37.28,;18.15,-36.56,;16.86,-37.39,;16.79,-35.85,;15.42,-35.09,;15.4,-33.53,;14.04,-32.76,;12.69,-33.55,;11.33,-32.79,;12.71,-35.12,;15.51,-36.68,;14.22,-37.5,;12.87,-36.8,;14.3,-39.04,;15.65,-39.74,;16.93,-38.91,;18.27,-39.62,;19.57,-38.81,;20.95,-39.55,;13.01,-39.86,;11.62,-39.15,;11.54,-37.59,;10.29,-39.98,;10.26,-41.55,;11.63,-42.31,;11.65,-43.87,;13.01,-44.64,;14.35,-43.84,;14.33,-42.26,;12.96,-41.51,;8.9,-39.25,;7.6,-40.13,;7.65,-41.7,;6.28,-39.33,;5.04,-40.22,;5.02,-41.75,;3.78,-42.63,;4.23,-44.09,;5.75,-44.1,;6.24,-42.65,;6.3,-37.8,;4.99,-37.01,;3.65,-37.75,;5.02,-35.46,;6.41,-34.73,;6.47,-33.17,;14.32,-29.68,;14.29,-28.11,;12.92,-27.35,;12.89,-25.82,;14.2,-25.03,;14.21,-23.47,;15.5,-25.84,;16.81,-25.04,;16.77,-23.52,;15.43,-22.79,;15.39,-21.27,;16.7,-20.47,;18.04,-21.2,;18.07,-22.72,;15.51,-27.37,;16.83,-28.11,;18.11,-27.29,;11.58,-28.17,;11.61,-29.73,;10.21,-27.41,;8.86,-28.21,;7.5,-27.46,;7.46,-25.89,;8.81,-25.09,;8.78,-23.52,;7.41,-22.76,;7.38,-21.2,;6.06,-23.58,;6.1,-25.14,;8.89,-29.78,;10.26,-30.53,;7.56,-30.59,;3.69,-34.64,;3.74,-33.07,;5.11,-32.33,;2.41,-32.25,;2.45,-30.69,;1.02,-33,;-.31,-32.17,;-.25,-30.61,;-1.58,-29.79,;-2.96,-30.52,;-4.3,-29.71,;-3,-32.1,;-1.67,-32.92,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(29-43-11-4-2-5-12-43)70(106)96-62(74(110)89-55(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)92-58(32-49-35-83-41-86-49)72(108)91-57(30-44-13-6-3-7-14-44)71(107)95-60-37-113-40-65(101)97(36-48(88-73(60)109)15-10-26-84-77(81)82)63(31-47-34-85-54-17-9-8-16-52(47)54)76(112)93-59(33-64(79)100)69(105)87-42/h2-9,11-14,16-25,34-35,41-42,48,53,55-63,85,98-99H,10,15,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,108)(H,92,111)(H,93,112)(H,94,104)(H,95,107)(H,96,106)(H4,81,82,84)/t42-,48-,53-,55-,56-,57+,58-,59-,60+,61-,62-,63-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427679
(CHEMBL2323787)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:93.99,79.84,5.5,60.64,40.41,13.13,wD:108.116,70.112,75.96,49.52,29.31,1.0,(17.31,-55.49,;18.65,-56.25,;19.97,-55.48,;21.31,-56.24,;21.32,-57.78,;22.64,-55.47,;23.97,-56.24,;23.98,-57.77,;25.31,-58.54,;22.65,-58.54,;22.63,-53.93,;23.97,-53.15,;25.3,-53.92,;23.98,-51.6,;25.31,-50.84,;26.66,-51.63,;26.65,-53.19,;28.01,-53.98,;29.37,-53.2,;29.37,-51.62,;28.01,-50.84,;30.72,-53.98,;30.72,-55.55,;32.08,-56.33,;33.44,-55.55,;33.43,-53.97,;32.08,-53.19,;22.64,-50.84,;22.65,-49.31,;21.31,-48.54,;22.65,-47.78,;23.98,-48.55,;25.31,-47.79,;26.64,-48.56,;27.97,-47.8,;29.31,-48.57,;27.98,-46.25,;21.32,-47.02,;19.99,-46.25,;20,-44.71,;18.65,-47,;18.65,-48.54,;19.99,-49.3,;19.99,-50.85,;21.32,-51.62,;21.33,-53.16,;17.34,-46.24,;16,-47,;14.64,-46.21,;16,-48.54,;14.67,-49.3,;13.31,-48.52,;11.96,-49.31,;10.6,-48.53,;10.6,-46.95,;11.95,-46.17,;13.32,-46.96,;17.33,-49.31,;12.02,-50.89,;13.29,-51.66,;10.63,-51.67,;9.29,-50.89,;7.72,-50.92,;6.82,-52.22,;5.32,-51.76,;5.28,-50.2,;6.76,-49.68,;10.64,-53.21,;9.31,-53.98,;7.97,-53.22,;9.32,-55.52,;10.65,-56.28,;10.65,-57.82,;11.99,-58.59,;12,-60.13,;13.33,-60.89,;14.66,-60.11,;16,-60.88,;16,-62.42,;17.32,-60.1,;18.66,-60.87,;18.67,-62.41,;17.34,-63.18,;17.34,-64.72,;18.68,-65.48,;20.01,-64.7,;20,-63.17,;17.32,-58.57,;18.65,-57.79,;19.98,-58.56,;13.34,-62.43,;14.67,-63.19,;12.01,-63.2,;12.02,-64.74,;13.35,-65.51,;13.36,-67.05,;12.02,-67.82,;12.03,-69.35,;13.37,-70.11,;13.37,-71.65,;14.7,-69.33,;14.69,-67.8,;10.68,-65.52,;10.69,-67.05,;9.35,-64.75,;7.99,-56.29,;7.99,-57.84,;9.33,-58.6,;6.66,-58.6,;5.33,-57.84,;6.67,-60.14,;5.34,-60.92,;4,-60.16,;2.67,-60.93,;2.68,-62.47,;1.34,-63.24,;4.01,-63.24,;5.34,-62.46,)| Show InChI InChI=1S/C81H97N19O15S3/c1-46-71(106)93-60(34-47-12-5-2-6-13-47)74(109)99-66(78(113)92-59(70(84)105)33-50-23-29-57(102)30-24-50)43-118-117-42-65(97-72(107)58(82)32-49-21-27-56(101)28-22-49)79(114)95-62(37-55-39-87-45-89-55)76(111)94-61(35-48-14-7-3-8-15-48)75(110)98-64-41-116-44-69(104)100(40-54(91-77(64)112)18-11-31-88-81(85)86)67(80(115)96-63(38-68(83)103)73(108)90-46)36-51-19-25-53(26-20-51)52-16-9-4-10-17-52/h2-10,12-17,19-30,39,45-46,54,58-67,101-102H,11,18,31-38,40-44,82H2,1H3,(H2,83,103)(H2,84,105)(H,87,89)(H,90,108)(H,91,112)(H,92,113)(H,93,106)(H,94,111)(H,95,114)(H,96,115)(H,97,107)(H,98,110)(H,99,109)(H4,85,86,88)/t46-,54-,58-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 830 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427681
(CHEMBL2323785)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,27.29,1.0,(18.43,-11.75,;19.77,-12.51,;21.1,-11.75,;22.43,-12.51,;22.44,-14.04,;23.77,-11.73,;25.1,-12.5,;25.1,-14.04,;26.44,-14.8,;23.78,-14.81,;23.76,-10.19,;25.09,-9.42,;26.42,-10.19,;25.11,-7.86,;26.43,-7.1,;27.79,-7.89,;27.78,-9.46,;29.13,-10.24,;30.49,-9.46,;31.85,-10.24,;33.21,-9.46,;33.21,-7.88,;31.85,-7.1,;30.49,-7.88,;29.14,-7.1,;23.76,-7.1,;23.77,-5.57,;22.44,-4.8,;23.77,-4.04,;25.11,-4.81,;26.43,-4.05,;27.77,-4.82,;29.1,-4.06,;30.43,-4.83,;29.11,-2.51,;22.44,-3.28,;21.12,-2.51,;21.13,-.97,;19.78,-3.26,;19.78,-4.8,;21.11,-5.57,;21.11,-7.11,;22.45,-7.88,;22.45,-9.42,;18.46,-2.5,;17.13,-3.26,;15.77,-2.47,;17.13,-4.8,;15.79,-5.57,;14.43,-4.78,;13.09,-5.57,;11.73,-4.79,;11.72,-3.21,;13.08,-2.44,;14.44,-3.22,;18.45,-5.57,;13.14,-7.16,;14.42,-7.92,;11.76,-7.93,;10.41,-7.15,;8.84,-7.19,;7.94,-8.48,;6.44,-8.03,;6.41,-6.46,;7.89,-5.94,;11.77,-9.47,;10.43,-10.25,;9.1,-9.48,;10.44,-11.78,;11.78,-12.55,;11.78,-14.08,;13.11,-14.85,;13.12,-16.39,;14.46,-17.15,;15.79,-16.37,;17.12,-17.14,;17.13,-18.68,;18.45,-16.37,;19.78,-17.13,;19.79,-18.67,;18.46,-19.44,;18.47,-20.98,;19.81,-21.74,;21.14,-20.96,;21.13,-19.43,;18.45,-14.83,;19.77,-14.05,;21.11,-14.82,;14.47,-18.69,;15.8,-19.46,;13.13,-19.46,;13.14,-21,;14.48,-21.77,;14.48,-23.31,;13.15,-24.08,;13.15,-25.61,;14.49,-26.38,;14.5,-27.91,;15.82,-25.59,;15.81,-24.06,;11.81,-21.78,;11.82,-23.32,;10.47,-21.01,;9.11,-12.55,;9.12,-14.1,;10.45,-14.86,;7.79,-14.87,;6.45,-14.11,;7.8,-16.4,;6.46,-17.18,;5.13,-16.42,;3.8,-17.19,;3.8,-18.73,;2.46,-19.5,;5.13,-19.51,;6.47,-18.73,)| Show InChI InChI=1S/C79H95N19O15S3/c1-44-69(104)91-58(32-45-11-4-2-5-12-45)72(107)97-64(76(111)90-57(68(82)103)31-48-21-26-55(100)27-22-48)41-116-115-40-63(95-70(105)56(80)30-47-19-24-54(99)25-20-47)77(112)93-60(35-53-37-85-43-87-53)74(109)92-59(33-46-13-6-3-7-14-46)73(108)96-62-39-114-42-67(102)98(38-52(89-75(62)110)17-10-28-86-79(83)84)65(78(113)94-61(36-66(81)101)71(106)88-44)34-49-18-23-50-15-8-9-16-51(50)29-49/h2-9,11-16,18-27,29,37,43-44,52,56-65,99-100H,10,17,28,30-36,38-42,80H2,1H3,(H2,81,101)(H2,82,103)(H,85,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,83,84,86)/t44-,52-,56-,57-,58-,59+,60-,61-,62+,63-,64-,65-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427686
(CHEMBL2323797)Show SMILES C[C@H]1CN2[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CSCC2=O)C(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C74H87N17O15S3/c1-40-34-91-61(29-46-32-79-52-16-10-9-15-50(46)52)74(106)87-57(31-62(76)94)67(99)82-41(2)65(97)84-54(27-42-11-5-3-6-12-42)68(100)90-60(72(104)83-53(64(77)96)26-45-19-23-49(93)24-20-45)37-109-108-36-59(88-66(98)51(75)25-44-17-21-48(92)22-18-44)73(105)86-56(30-47-33-78-39-80-47)70(102)85-55(28-43-13-7-4-8-14-43)69(101)89-58(71(103)81-40)35-107-38-63(91)95/h3-24,32-33,39-41,51,53-61,79,92-93H,25-31,34-38,75H2,1-2H3,(H2,76,94)(H2,77,96)(H,78,80)(H,81,103)(H,82,99)(H,83,104)(H,84,97)(H,85,102)(H,86,105)(H,87,106)(H,88,98)(H,89,101)(H,90,100)/t40-,41-,51-,53-,54-,55+,56-,57-,58+,59-,60-,61-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 850 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427689
(CHEMBL2323792)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:84.89,70.74,5.5,51.54,37.38,46.49,13.13,wD:99.106,61.102,66.86,26.28,1.0,(17.51,-48.64,;18.85,-49.41,;20.18,-48.64,;21.52,-49.4,;21.52,-50.94,;22.85,-48.62,;24.19,-49.39,;24.19,-50.93,;25.52,-51.69,;22.86,-51.7,;22.84,-47.08,;24.18,-46.3,;25.51,-47.07,;24.19,-44.75,;25.52,-43.98,;26.81,-44.84,;28.25,-44.31,;29.2,-45.52,;28.34,-46.8,;28.73,-48.27,;27.63,-49.34,;26.15,-48.94,;25.77,-47.45,;26.86,-46.38,;22.85,-43.98,;22.86,-42.45,;21.52,-41.68,;22.86,-40.92,;24.19,-41.69,;25.52,-40.93,;26.86,-41.7,;28.19,-40.94,;29.53,-41.71,;28.2,-39.39,;21.53,-40.16,;20.2,-39.38,;20.21,-37.84,;18.86,-40.14,;18.86,-41.68,;20.19,-42.45,;20.19,-44,;21.53,-44.76,;21.54,-46.3,;17.54,-39.37,;16.2,-40.14,;14.87,-39.37,;16.2,-41.68,;14.86,-42.45,;17.53,-42.45,;12.21,-44.04,;13.49,-44.8,;10.82,-44.82,;9.47,-44.04,;9.47,-42.47,;8.19,-41.55,;8.67,-40.05,;10.24,-40.05,;10.73,-41.54,;10.83,-46.36,;9.5,-47.13,;8.16,-46.36,;9.51,-48.67,;10.84,-49.44,;10.84,-50.98,;12.18,-51.75,;12.19,-53.29,;13.53,-54.05,;14.86,-53.27,;16.2,-54.04,;16.2,-55.58,;17.53,-53.26,;18.86,-54.03,;18.87,-55.57,;17.54,-56.35,;17.55,-57.88,;18.88,-58.65,;20.22,-57.87,;20.21,-56.33,;17.52,-51.72,;18.85,-50.95,;20.19,-51.72,;13.53,-55.59,;14.87,-56.36,;12.2,-56.37,;12.21,-57.91,;13.54,-58.68,;13.55,-60.22,;12.21,-60.99,;12.22,-62.53,;13.56,-63.29,;13.56,-64.83,;14.89,-62.51,;14.88,-60.97,;10.87,-58.68,;10.88,-60.22,;9.54,-57.91,;8.17,-49.44,;8.18,-50.99,;9.52,-51.75,;6.84,-51.76,;5.51,-51,;6.85,-53.3,;5.52,-54.08,;4.18,-53.32,;2.85,-54.09,;2.86,-55.63,;1.51,-56.41,;4.19,-56.41,;5.53,-55.63,)| Show InChI InChI=1S/C71H90N20O15S3/c1-37-61(97)85-51(25-39-9-4-3-5-10-39)66(102)90-56(68(104)84-50(60(74)96)24-41-16-20-46(93)21-17-41)34-109-108-33-55(89-63(99)48(72)23-40-14-18-45(92)19-15-40)69(105)86-52(27-44-30-77-36-80-44)64(100)81-38(2)62(98)88-54-32-107-35-59(95)91(31-43(83-67(54)103)11-8-22-78-71(75)76)57(26-42-29-79-49-13-7-6-12-47(42)49)70(106)87-53(28-58(73)94)65(101)82-37/h3-7,9-10,12-21,29-30,36-38,43,48,50-57,79,92-93H,8,11,22-28,31-35,72H2,1-2H3,(H2,73,94)(H2,74,96)(H,77,80)(H,81,100)(H,82,101)(H,83,103)(H,84,104)(H,85,97)(H,86,105)(H,87,106)(H,88,98)(H,89,99)(H,90,102)(H4,75,76,78)/t37-,38-,43-,48-,50-,51-,52-,53-,54+,55-,56-,57-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50339348
((4R,7S,10S,13S,16S,19S,22R,25S,28R)-25-((1H-imidaz...)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:27.29,13.13,1.0,68.72,49.52,wD:38.40,5.5,64.84,59.100,82.87,97.104,(5.98,2.25,;4.65,1.48,;3.32,2.25,;3.32,3.79,;4.65,4.56,;1.99,4.56,;.65,3.79,;.65,2.25,;1.99,1.48,;-.69,1.48,;1.99,6.1,;.65,6.86,;-.69,6.1,;.65,8.41,;1.99,9.18,;3.32,8.41,;3.48,6.87,;4.98,6.56,;5.75,7.89,;7.26,8.21,;7.73,9.67,;6.71,10.82,;5.2,10.49,;4.72,9.03,;-.69,9.18,;-2.02,8.41,;-2.02,6.86,;-3.35,9.18,;-3.35,10.71,;-4.68,11.49,;-6.01,10.71,;-7.34,11.49,;-7.34,13.03,;-6.01,13.79,;-8.68,13.79,;-4.68,8.41,;-4.68,6.86,;-3.35,6.1,;-6.01,6.1,;-7.34,6.86,;-8.68,6.1,;-10.02,6.86,;-11.35,6.1,;-11.35,4.56,;-10.02,3.79,;-8.68,4.56,;-6.01,4.56,;-4.68,3.79,;-3.35,4.56,;-4.68,2.25,;-6.02,1.49,;-7.35,2.27,;-8.77,1.66,;-9.79,2.81,;-9,4.14,;-7.5,3.8,;-3.35,1.47,;-3.36,-.07,;-2.03,-.85,;-4.7,-.84,;-4.71,-2.38,;-3.38,-3.16,;-.71,-3.02,;.64,-2.26,;1.97,-3.03,;3.32,-2.31,;4.63,-3.11,;4.6,-4.65,;5.98,-2.37,;7.3,-3.16,;8.64,-2.42,;9.97,-3.22,;11.31,-2.47,;11.35,-.94,;10.03,-.14,;8.68,-.88,;5.98,-.83,;4.65,-.06,;3.32,-.83,;1.96,-4.55,;.61,-5.3,;3.27,-5.35,;3.24,-6.89,;1.89,-7.63,;1.86,-9.17,;.51,-9.91,;.47,-11.45,;1.79,-12.25,;1.76,-13.79,;3.15,-11.5,;3.17,-9.96,;4.56,-7.69,;5.91,-6.95,;4.53,-9.23,;-6.03,-.06,;-7.37,-.83,;-8.7,-.04,;-7.38,-2.37,;-8.72,-3.13,;-6.05,-3.14,;-6.05,-4.69,;-7.39,-5.45,;-7.4,-6.99,;-6.07,-7.77,;-6.08,-9.31,;-4.73,-7,;-4.72,-5.46,)| Show InChI InChI=1S/C72H87N19O14S2/c1-39-62(96)85-53(29-40-11-4-2-5-12-40)67(101)91-59(70(104)84-52(61(75)95)28-43-20-24-47(93)25-21-43)37-107-106-36-58(90-63(97)49(73)27-42-18-22-46(92)23-19-42)71(105)88-56(32-45-35-78-38-81-45)69(103)86-54(30-41-13-6-3-7-14-41)66(100)83-51(17-10-26-79-72(76)77)64(98)87-55(31-44-34-80-50-16-9-8-15-48(44)50)68(102)89-57(33-60(74)94)65(99)82-39/h2-9,11-16,18-25,34-35,38-39,49,51-59,80,92-93H,10,17,26-33,36-37,73H2,1H3,(H2,74,94)(H2,75,95)(H,78,81)(H,82,99)(H,83,100)(H,84,104)(H,85,96)(H,86,103)(H,87,98)(H,88,105)(H,89,102)(H,90,97)(H,91,101)(H4,76,77,79)/t39-,49-,51-,52-,53-,54+,55-,56-,57-,58-,59-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427679
(CHEMBL2323787)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:93.99,79.84,5.5,60.64,40.41,13.13,wD:108.116,70.112,75.96,49.52,29.31,1.0,(17.31,-55.49,;18.65,-56.25,;19.97,-55.48,;21.31,-56.24,;21.32,-57.78,;22.64,-55.47,;23.97,-56.24,;23.98,-57.77,;25.31,-58.54,;22.65,-58.54,;22.63,-53.93,;23.97,-53.15,;25.3,-53.92,;23.98,-51.6,;25.31,-50.84,;26.66,-51.63,;26.65,-53.19,;28.01,-53.98,;29.37,-53.2,;29.37,-51.62,;28.01,-50.84,;30.72,-53.98,;30.72,-55.55,;32.08,-56.33,;33.44,-55.55,;33.43,-53.97,;32.08,-53.19,;22.64,-50.84,;22.65,-49.31,;21.31,-48.54,;22.65,-47.78,;23.98,-48.55,;25.31,-47.79,;26.64,-48.56,;27.97,-47.8,;29.31,-48.57,;27.98,-46.25,;21.32,-47.02,;19.99,-46.25,;20,-44.71,;18.65,-47,;18.65,-48.54,;19.99,-49.3,;19.99,-50.85,;21.32,-51.62,;21.33,-53.16,;17.34,-46.24,;16,-47,;14.64,-46.21,;16,-48.54,;14.67,-49.3,;13.31,-48.52,;11.96,-49.31,;10.6,-48.53,;10.6,-46.95,;11.95,-46.17,;13.32,-46.96,;17.33,-49.31,;12.02,-50.89,;13.29,-51.66,;10.63,-51.67,;9.29,-50.89,;7.72,-50.92,;6.82,-52.22,;5.32,-51.76,;5.28,-50.2,;6.76,-49.68,;10.64,-53.21,;9.31,-53.98,;7.97,-53.22,;9.32,-55.52,;10.65,-56.28,;10.65,-57.82,;11.99,-58.59,;12,-60.13,;13.33,-60.89,;14.66,-60.11,;16,-60.88,;16,-62.42,;17.32,-60.1,;18.66,-60.87,;18.67,-62.41,;17.34,-63.18,;17.34,-64.72,;18.68,-65.48,;20.01,-64.7,;20,-63.17,;17.32,-58.57,;18.65,-57.79,;19.98,-58.56,;13.34,-62.43,;14.67,-63.19,;12.01,-63.2,;12.02,-64.74,;13.35,-65.51,;13.36,-67.05,;12.02,-67.82,;12.03,-69.35,;13.37,-70.11,;13.37,-71.65,;14.7,-69.33,;14.69,-67.8,;10.68,-65.52,;10.69,-67.05,;9.35,-64.75,;7.99,-56.29,;7.99,-57.84,;9.33,-58.6,;6.66,-58.6,;5.33,-57.84,;6.67,-60.14,;5.34,-60.92,;4,-60.16,;2.67,-60.93,;2.68,-62.47,;1.34,-63.24,;4.01,-63.24,;5.34,-62.46,)| Show InChI InChI=1S/C81H97N19O15S3/c1-46-71(106)93-60(34-47-12-5-2-6-13-47)74(109)99-66(78(113)92-59(70(84)105)33-50-23-29-57(102)30-24-50)43-118-117-42-65(97-72(107)58(82)32-49-21-27-56(101)28-22-49)79(114)95-62(37-55-39-87-45-89-55)76(111)94-61(35-48-14-7-3-8-15-48)75(110)98-64-41-116-44-69(104)100(40-54(91-77(64)112)18-11-31-88-81(85)86)67(80(115)96-63(38-68(83)103)73(108)90-46)36-51-19-25-53(26-20-51)52-16-9-4-10-17-52/h2-10,12-17,19-30,39,45-46,54,58-67,101-102H,11,18,31-38,40-44,82H2,1H3,(H2,83,103)(H2,84,105)(H,87,89)(H,90,108)(H,91,112)(H,92,113)(H,93,106)(H,94,111)(H,95,114)(H,96,115)(H,97,107)(H,98,110)(H,99,109)(H4,85,86,88)/t46-,54-,58-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 980 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427682
(CHEMBL2323529)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:81.85,67.70,5.5,48.50,28.27,13.13,wD:96.102,58.98,63.82,37.38,17.17,1.0,(20.98,-56.13,;22.32,-56.89,;23.65,-56.12,;24.98,-56.88,;24.99,-58.42,;26.32,-56.11,;27.65,-56.88,;27.65,-58.41,;28.99,-59.18,;26.33,-59.18,;26.31,-54.57,;27.64,-53.79,;28.98,-54.56,;27.66,-52.23,;28.99,-51.47,;26.32,-51.47,;26.33,-49.94,;24.99,-49.18,;26.32,-48.42,;27.66,-49.18,;28.99,-48.42,;30.32,-49.19,;31.65,-48.43,;32.99,-49.2,;31.66,-46.88,;24.99,-47.65,;23.67,-46.88,;23.68,-45.34,;22.33,-47.63,;22.33,-49.17,;23.66,-49.94,;23.66,-51.49,;25,-52.25,;25,-53.79,;21.01,-46.87,;19.67,-47.63,;18.32,-46.84,;19.67,-49.17,;18.34,-49.94,;16.98,-49.15,;15.63,-49.94,;14.27,-49.16,;14.27,-47.58,;15.62,-46.81,;16.99,-47.59,;21,-49.94,;15.69,-51.53,;16.96,-52.29,;14.3,-52.31,;12.95,-51.52,;11.38,-51.56,;10.49,-52.85,;8.98,-52.4,;8.95,-50.83,;10.43,-50.31,;14.31,-53.84,;12.98,-54.62,;11.64,-53.85,;12.99,-56.16,;14.32,-56.92,;14.32,-58.46,;15.66,-59.23,;15.67,-60.77,;17,-61.53,;18.34,-60.75,;19.67,-61.52,;19.67,-63.06,;21,-60.74,;22.33,-61.51,;22.34,-63.05,;21.01,-63.82,;21.02,-65.36,;22.35,-66.12,;23.69,-65.34,;23.68,-63.81,;21,-59.21,;22.32,-58.43,;23.66,-59.2,;17.01,-63.07,;18.35,-63.84,;15.68,-63.84,;15.69,-65.38,;17.02,-66.15,;17.03,-67.69,;15.69,-68.46,;15.7,-70,;17.04,-70.76,;17.04,-72.3,;18.37,-69.98,;18.36,-68.45,;14.35,-66.16,;14.36,-67.7,;13.02,-65.39,;11.65,-56.93,;11.66,-58.48,;13,-59.24,;10.33,-59.24,;8.99,-58.48,;10.34,-60.78,;9,-61.56,;7.67,-60.8,;6.34,-61.57,;6.34,-63.11,;5,-63.88,;7.67,-63.89,;9.01,-63.11,)| Show InChI InChI=1S/C69H89N19O15S3/c1-37-59(94)81-49(26-39-10-5-3-6-11-39)63(98)87-55(67(102)80-48(58(72)93)25-42-17-21-46(90)22-18-42)34-106-105-33-54(85-61(96)47(70)24-41-15-19-45(89)20-16-41)68(103)84-51(28-44-30-75-36-77-44)65(100)83-50(27-40-12-7-4-8-13-40)64(99)86-53-32-104-35-57(92)88(31-43(79-66(53)101)14-9-23-76-69(73)74)38(2)60(95)82-52(29-56(71)91)62(97)78-37/h3-8,10-13,15-22,30,36-38,43,47-55,89-90H,9,14,23-29,31-35,70H2,1-2H3,(H2,71,91)(H2,72,93)(H,75,77)(H,78,97)(H,79,101)(H,80,102)(H,81,94)(H,82,95)(H,83,100)(H,84,103)(H,85,96)(H,86,99)(H,87,98)(H4,73,74,76)/t37-,38-,43-,47-,48-,49-,50+,51-,52-,53+,54-,55-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427684
(CHEMBL2323799)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,26.28,1.0,(17.32,-11.76,;18.66,-12.52,;19.99,-11.75,;21.32,-12.52,;21.33,-14.06,;22.66,-11.74,;23.99,-12.51,;23.99,-14.05,;25.33,-14.81,;22.67,-14.82,;22.65,-10.2,;23.98,-9.42,;25.32,-10.19,;24,-7.87,;25.33,-7.11,;26.62,-7.96,;28.05,-7.43,;29,-8.64,;28.15,-9.92,;28.53,-11.39,;27.44,-12.46,;25.95,-12.06,;25.58,-10.57,;26.67,-9.5,;22.66,-7.11,;22.67,-5.57,;21.33,-4.81,;22.66,-4.05,;24.02,-4.84,;25.38,-4.06,;26.74,-4.86,;28.1,-4.08,;29.46,-4.87,;30.82,-4.1,;29.45,-6.45,;21.33,-3.28,;20.01,-2.51,;20.02,-.97,;18.67,-3.26,;18.67,-4.8,;20,-5.57,;20,-7.12,;21.34,-7.89,;21.34,-9.42,;17.35,-2.5,;16.01,-3.26,;14.66,-2.47,;16.01,-4.8,;14.68,-5.57,;13.32,-4.78,;11.97,-5.57,;10.61,-4.79,;10.61,-3.21,;11.96,-2.44,;13.33,-3.22,;17.34,-5.58,;12.03,-7.16,;13.3,-7.92,;10.64,-7.94,;9.29,-7.16,;7.72,-7.19,;6.82,-8.48,;5.32,-8.03,;5.28,-6.46,;6.77,-5.94,;10.65,-9.48,;9.32,-10.25,;7.98,-9.49,;9.32,-11.79,;10.66,-12.55,;10.66,-14.09,;12,-14.86,;12.01,-16.4,;13.34,-17.16,;14.68,-16.39,;16.01,-17.16,;16.01,-18.69,;17.34,-16.38,;18.67,-17.15,;18.68,-18.69,;17.35,-19.46,;17.36,-20.99,;18.69,-21.76,;20.03,-20.98,;20.02,-19.44,;17.34,-14.84,;18.66,-14.06,;20,-14.83,;13.35,-18.7,;14.69,-19.47,;12.02,-19.48,;12.02,-21.02,;13.36,-21.79,;13.37,-23.33,;12.03,-24.1,;12.04,-25.63,;13.38,-26.4,;13.38,-27.94,;14.71,-25.61,;14.7,-24.08,;10.69,-21.8,;10.7,-23.33,;9.35,-21.03,;7.99,-12.56,;8,-14.11,;9.33,-14.87,;6.66,-14.88,;5.33,-14.12,;6.67,-16.42,;5.34,-17.19,;4.01,-16.43,;2.67,-17.2,;2.68,-18.74,;1.34,-19.52,;4.01,-19.52,;5.35,-18.74,)| Show InChI InChI=1S/C78H96N20O15S3/c1-43-68(104)91-57(30-44-12-4-2-5-13-44)71(107)97-63(75(111)90-56(67(81)103)29-47-21-25-52(100)26-22-47)40-116-115-39-62(95-69(105)54(79)28-46-19-23-51(99)24-20-46)76(112)93-59(33-50-36-84-42-87-50)73(109)92-58(31-45-14-6-3-7-15-45)72(108)96-61-38-114-41-66(102)98(37-49(89-74(61)110)16-10-11-27-85-78(82)83)64(32-48-35-86-55-18-9-8-17-53(48)55)77(113)94-60(34-65(80)101)70(106)88-43/h2-9,12-15,17-26,35-36,42-43,49,54,56-64,86,99-100H,10-11,16,27-34,37-41,79H2,1H3,(H2,80,101)(H2,81,103)(H,84,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,82,83,85)/t43-,49-,54-,56-,57-,58+,59-,60-,61+,62-,63-,64-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 965 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427692
(CHEMBL2323789)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,57.61,37.38,13.13,wD:106.114,68.110,73.94,46.49,26.28,1.0,(18.6,-47.18,;19.95,-47.95,;21.28,-47.18,;22.61,-47.94,;22.62,-49.48,;23.95,-47.16,;25.29,-47.93,;25.29,-49.47,;26.62,-50.23,;23.96,-50.24,;23.94,-45.62,;25.28,-44.84,;26.61,-45.61,;25.29,-43.29,;26.62,-42.52,;27.91,-43.38,;29.35,-42.85,;30.3,-44.06,;29.44,-45.34,;29.83,-46.81,;28.73,-47.88,;27.25,-47.48,;26.87,-45.99,;27.96,-44.92,;23.95,-42.52,;23.96,-40.99,;22.62,-40.22,;23.96,-39.46,;25.29,-40.23,;26.62,-39.47,;27.96,-40.24,;29.29,-39.48,;30.63,-40.25,;29.3,-37.93,;22.62,-38.7,;21.3,-37.92,;21.31,-36.38,;19.95,-38.68,;19.96,-40.22,;21.29,-40.99,;21.29,-42.54,;22.63,-43.3,;22.63,-44.84,;18.63,-37.91,;17.3,-38.68,;15.97,-37.91,;17.3,-40.22,;15.96,-40.99,;14.63,-40.21,;14.64,-38.67,;13.31,-37.89,;11.96,-38.66,;11.97,-40.21,;13.3,-40.98,;18.63,-40.99,;13.31,-42.58,;14.59,-43.34,;11.92,-43.36,;10.57,-42.58,;9.77,-41.21,;10.57,-39.84,;9.77,-38.47,;8.18,-38.47,;7.39,-39.86,;8.2,-41.22,;11.93,-44.9,;10.6,-45.67,;9.26,-44.9,;10.6,-47.21,;11.94,-47.98,;11.94,-49.52,;13.28,-50.29,;13.29,-51.83,;14.62,-52.59,;15.96,-51.81,;17.3,-52.58,;17.3,-54.12,;18.62,-51.8,;19.96,-52.57,;19.97,-54.11,;18.64,-54.89,;18.64,-56.42,;19.98,-57.19,;21.32,-56.41,;21.31,-54.87,;18.62,-50.26,;19.95,-49.49,;21.29,-50.26,;14.63,-54.13,;15.97,-54.9,;13.3,-54.91,;13.31,-56.45,;14.64,-57.22,;14.65,-58.76,;13.31,-59.53,;13.32,-61.07,;14.66,-61.83,;14.66,-63.37,;15.99,-61.05,;15.98,-59.51,;11.97,-57.22,;11.98,-58.76,;10.63,-56.45,;9.27,-47.98,;9.28,-49.53,;10.61,-50.29,;7.94,-50.3,;6.61,-49.54,;7.95,-51.84,;6.62,-52.62,;5.28,-51.86,;3.95,-52.63,;3.95,-54.17,;2.61,-54.95,;5.29,-54.95,;6.62,-54.17,)| Show InChI InChI=1S/C80H96N18O15S3/c1-45-70(104)91-59(34-46-14-5-2-6-15-46)74(108)97-65(77(111)90-58(69(83)103)33-50-25-29-54(100)30-26-50)43-116-115-42-64(95-71(105)56(81)32-49-23-27-53(99)28-24-49)78(112)93-60(35-47-16-7-3-8-17-47)73(107)92-61(36-48-18-9-4-10-19-48)75(109)96-63-41-114-44-68(102)98(40-52(89-76(63)110)20-13-31-86-80(84)85)66(37-51-39-87-57-22-12-11-21-55(51)57)79(113)94-62(38-67(82)101)72(106)88-45/h2-12,14-19,21-30,39,45,52,56,58-66,87,99-100H,13,20,31-38,40-44,81H2,1H3,(H2,82,101)(H2,83,103)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,107)(H,93,112)(H,94,113)(H,95,105)(H,96,109)(H,97,108)(H4,84,85,86)/t45-,52-,56-,58-,59-,60-,61+,62-,63+,64-,65-,66-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50339348
((4R,7S,10S,13S,16S,19S,22R,25S,28R)-25-((1H-imidaz...)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:27.29,13.13,1.0,68.72,49.52,wD:38.40,5.5,64.84,59.100,82.87,97.104,(5.98,2.25,;4.65,1.48,;3.32,2.25,;3.32,3.79,;4.65,4.56,;1.99,4.56,;.65,3.79,;.65,2.25,;1.99,1.48,;-.69,1.48,;1.99,6.1,;.65,6.86,;-.69,6.1,;.65,8.41,;1.99,9.18,;3.32,8.41,;3.48,6.87,;4.98,6.56,;5.75,7.89,;7.26,8.21,;7.73,9.67,;6.71,10.82,;5.2,10.49,;4.72,9.03,;-.69,9.18,;-2.02,8.41,;-2.02,6.86,;-3.35,9.18,;-3.35,10.71,;-4.68,11.49,;-6.01,10.71,;-7.34,11.49,;-7.34,13.03,;-6.01,13.79,;-8.68,13.79,;-4.68,8.41,;-4.68,6.86,;-3.35,6.1,;-6.01,6.1,;-7.34,6.86,;-8.68,6.1,;-10.02,6.86,;-11.35,6.1,;-11.35,4.56,;-10.02,3.79,;-8.68,4.56,;-6.01,4.56,;-4.68,3.79,;-3.35,4.56,;-4.68,2.25,;-6.02,1.49,;-7.35,2.27,;-8.77,1.66,;-9.79,2.81,;-9,4.14,;-7.5,3.8,;-3.35,1.47,;-3.36,-.07,;-2.03,-.85,;-4.7,-.84,;-4.71,-2.38,;-3.38,-3.16,;-.71,-3.02,;.64,-2.26,;1.97,-3.03,;3.32,-2.31,;4.63,-3.11,;4.6,-4.65,;5.98,-2.37,;7.3,-3.16,;8.64,-2.42,;9.97,-3.22,;11.31,-2.47,;11.35,-.94,;10.03,-.14,;8.68,-.88,;5.98,-.83,;4.65,-.06,;3.32,-.83,;1.96,-4.55,;.61,-5.3,;3.27,-5.35,;3.24,-6.89,;1.89,-7.63,;1.86,-9.17,;.51,-9.91,;.47,-11.45,;1.79,-12.25,;1.76,-13.79,;3.15,-11.5,;3.17,-9.96,;4.56,-7.69,;5.91,-6.95,;4.53,-9.23,;-6.03,-.06,;-7.37,-.83,;-8.7,-.04,;-7.38,-2.37,;-8.72,-3.13,;-6.05,-3.14,;-6.05,-4.69,;-7.39,-5.45,;-7.4,-6.99,;-6.07,-7.77,;-6.08,-9.31,;-4.73,-7,;-4.72,-5.46,)| Show InChI InChI=1S/C72H87N19O14S2/c1-39-62(96)85-53(29-40-11-4-2-5-12-40)67(101)91-59(70(104)84-52(61(75)95)28-43-20-24-47(93)25-21-43)37-107-106-36-58(90-63(97)49(73)27-42-18-22-46(92)23-19-42)71(105)88-56(32-45-35-78-38-81-45)69(103)86-54(30-41-13-6-3-7-14-41)66(100)83-51(17-10-26-79-72(76)77)64(98)87-55(31-44-34-80-50-16-9-8-15-48(44)50)68(102)89-57(33-60(74)94)65(99)82-39/h2-9,11-16,18-25,34-35,38-39,49,51-59,80,92-93H,10,17,26-33,36-37,73H2,1H3,(H2,74,94)(H2,75,95)(H,78,81)(H,82,99)(H,83,100)(H,84,104)(H,85,96)(H,86,103)(H,87,98)(H,88,105)(H,89,102)(H,90,97)(H,91,101)(H4,76,77,79)/t39-,49-,51-,52-,53-,54+,55-,56-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427683
(CHEMBL2323800)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)[C@]23CCCN2C(=O)[C@@H](CSCC3=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C75H86N16O15S3/c1-41-65(97)84-55(29-42-11-4-2-5-12-42)69(101)89-60(72(104)83-54(64(78)96)28-45-19-23-49(93)24-20-45)38-109-108-37-59(88-67(99)52(76)27-44-17-21-48(92)22-18-44)73(105)87-57(32-47-35-79-40-81-47)71(103)86-56(30-43-13-6-3-7-14-43)70(102)90-61-36-107-39-62(94)75(25-10-26-91(75)74(61)106)51(31-46-34-80-53-16-9-8-15-50(46)53)66(98)85-58(33-63(77)95)68(100)82-41/h2-9,11-24,34-35,40-41,51-52,54-61,80,92-93H,10,25-33,36-39,76H2,1H3,(H2,77,95)(H2,78,96)(H,79,81)(H,82,100)(H,83,104)(H,84,97)(H,85,98)(H,86,103)(H,87,105)(H,88,99)(H,89,101)(H,90,102)/t41-,51+,52-,54-,55-,56+,57-,58-,59-,60-,61+,75-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.12E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427686
(CHEMBL2323797)Show SMILES C[C@H]1CN2[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CSCC2=O)C(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C74H87N17O15S3/c1-40-34-91-61(29-46-32-79-52-16-10-9-15-50(46)52)74(106)87-57(31-62(76)94)67(99)82-41(2)65(97)84-54(27-42-11-5-3-6-12-42)68(100)90-60(72(104)83-53(64(77)96)26-45-19-23-49(93)24-20-45)37-109-108-36-59(88-66(98)51(75)25-44-17-21-48(92)22-18-44)73(105)86-56(30-47-33-78-39-80-47)70(102)85-55(28-43-13-7-4-8-14-43)69(101)89-58(71(103)81-40)35-107-38-63(91)95/h3-24,32-33,39-41,51,53-61,79,92-93H,25-31,34-38,75H2,1-2H3,(H2,76,94)(H2,77,96)(H,78,80)(H,81,103)(H,82,99)(H,83,104)(H,84,97)(H,85,102)(H,86,105)(H,87,106)(H,88,98)(H,89,101)(H,90,100)/t40-,41-,51-,53-,54-,55+,56-,57-,58+,59-,60-,61-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.07E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427688
(CHEMBL2323793)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:94.101,80.86,5.5,61.66,37.38,13.13,wD:109.118,71.114,76.98,46.49,26.28,1.0,(17.32,-12.48,;18.66,-13.24,;19.99,-12.47,;21.32,-13.23,;21.33,-14.77,;22.66,-12.45,;23.99,-13.22,;23.99,-14.76,;25.33,-15.52,;22.67,-15.53,;22.65,-10.91,;23.98,-10.14,;25.32,-10.91,;24,-8.58,;25.32,-7.82,;26.61,-8.67,;28.05,-8.14,;29,-9.35,;28.15,-10.63,;28.53,-12.11,;27.43,-13.18,;25.95,-12.77,;25.58,-11.29,;26.67,-10.21,;22.66,-7.82,;22.66,-6.29,;21.33,-5.52,;22.66,-4.76,;24,-5.53,;25.32,-4.77,;26.66,-5.54,;27.99,-4.78,;29.33,-5.55,;28,-3.23,;21.33,-4,;20.01,-3.22,;20.02,-1.68,;18.67,-3.98,;18.67,-5.52,;20,-6.28,;20,-7.83,;21.34,-8.6,;21.34,-10.14,;17.35,-3.21,;16.01,-3.98,;14.65,-4.75,;16.01,-5.52,;14.68,-6.28,;13.32,-5.5,;11.97,-6.29,;10.61,-5.51,;10.6,-3.93,;11.97,-3.14,;11.97,-1.58,;13.33,-.79,;14.7,-1.58,;14.69,-3.16,;13.33,-3.94,;17.34,-6.29,;12.03,-7.88,;13.3,-8.64,;10.64,-8.65,;9.29,-7.87,;7.72,-7.9,;6.82,-9.2,;5.32,-8.75,;5.28,-7.18,;6.77,-6.66,;10.65,-10.19,;9.32,-10.97,;7.98,-10.2,;9.32,-12.51,;10.66,-13.27,;10.66,-14.81,;12,-15.58,;12.01,-17.12,;13.34,-17.88,;14.67,-17.1,;16.01,-17.87,;16.01,-19.41,;17.34,-17.09,;18.67,-17.86,;18.68,-19.4,;17.35,-20.17,;17.36,-21.71,;18.69,-22.47,;20.03,-21.69,;20.02,-20.16,;17.34,-15.55,;18.66,-14.78,;20,-15.55,;13.35,-19.42,;14.68,-20.19,;12.01,-20.19,;12.02,-21.73,;13.36,-22.5,;13.37,-24.04,;12.03,-24.81,;12.04,-26.35,;13.37,-27.11,;13.38,-28.65,;14.71,-26.33,;14.7,-24.8,;10.69,-22.51,;10.7,-24.05,;9.35,-21.74,;7.99,-13.28,;8,-14.82,;9.33,-15.58,;6.66,-15.59,;5.33,-14.83,;6.67,-17.13,;5.34,-17.91,;4.01,-17.15,;2.67,-17.92,;2.68,-19.46,;1.34,-20.23,;4.01,-20.23,;5.35,-19.45,)| Show InChI InChI=1S/C81H96N20O15S3/c1-44-71(107)94-60(31-45-11-3-2-4-12-45)74(110)100-66(78(114)93-59(70(84)106)30-47-22-26-54(103)27-23-47)41-119-118-40-65(98-72(108)57(82)29-46-20-24-53(102)25-21-46)79(115)96-62(34-52-37-87-43-90-52)76(112)95-61(32-49-15-9-14-48-13-5-6-17-55(48)49)75(111)99-64-39-117-42-69(105)101(38-51(92-77(64)113)16-10-28-88-81(85)86)67(33-50-36-89-58-19-8-7-18-56(50)58)80(116)97-63(35-68(83)104)73(109)91-44/h2-9,11-15,17-27,36-37,43-44,51,57,59-67,89,102-103H,10,16,28-35,38-42,82H2,1H3,(H2,83,104)(H2,84,106)(H,87,90)(H,91,109)(H,92,113)(H,93,114)(H,94,107)(H,95,112)(H,96,115)(H,97,116)(H,98,108)(H,99,111)(H,100,110)(H4,85,86,88)/t44-,51-,57-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427692
(CHEMBL2323789)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,57.61,37.38,13.13,wD:106.114,68.110,73.94,46.49,26.28,1.0,(18.6,-47.18,;19.95,-47.95,;21.28,-47.18,;22.61,-47.94,;22.62,-49.48,;23.95,-47.16,;25.29,-47.93,;25.29,-49.47,;26.62,-50.23,;23.96,-50.24,;23.94,-45.62,;25.28,-44.84,;26.61,-45.61,;25.29,-43.29,;26.62,-42.52,;27.91,-43.38,;29.35,-42.85,;30.3,-44.06,;29.44,-45.34,;29.83,-46.81,;28.73,-47.88,;27.25,-47.48,;26.87,-45.99,;27.96,-44.92,;23.95,-42.52,;23.96,-40.99,;22.62,-40.22,;23.96,-39.46,;25.29,-40.23,;26.62,-39.47,;27.96,-40.24,;29.29,-39.48,;30.63,-40.25,;29.3,-37.93,;22.62,-38.7,;21.3,-37.92,;21.31,-36.38,;19.95,-38.68,;19.96,-40.22,;21.29,-40.99,;21.29,-42.54,;22.63,-43.3,;22.63,-44.84,;18.63,-37.91,;17.3,-38.68,;15.97,-37.91,;17.3,-40.22,;15.96,-40.99,;14.63,-40.21,;14.64,-38.67,;13.31,-37.89,;11.96,-38.66,;11.97,-40.21,;13.3,-40.98,;18.63,-40.99,;13.31,-42.58,;14.59,-43.34,;11.92,-43.36,;10.57,-42.58,;9.77,-41.21,;10.57,-39.84,;9.77,-38.47,;8.18,-38.47,;7.39,-39.86,;8.2,-41.22,;11.93,-44.9,;10.6,-45.67,;9.26,-44.9,;10.6,-47.21,;11.94,-47.98,;11.94,-49.52,;13.28,-50.29,;13.29,-51.83,;14.62,-52.59,;15.96,-51.81,;17.3,-52.58,;17.3,-54.12,;18.62,-51.8,;19.96,-52.57,;19.97,-54.11,;18.64,-54.89,;18.64,-56.42,;19.98,-57.19,;21.32,-56.41,;21.31,-54.87,;18.62,-50.26,;19.95,-49.49,;21.29,-50.26,;14.63,-54.13,;15.97,-54.9,;13.3,-54.91,;13.31,-56.45,;14.64,-57.22,;14.65,-58.76,;13.31,-59.53,;13.32,-61.07,;14.66,-61.83,;14.66,-63.37,;15.99,-61.05,;15.98,-59.51,;11.97,-57.22,;11.98,-58.76,;10.63,-56.45,;9.27,-47.98,;9.28,-49.53,;10.61,-50.29,;7.94,-50.3,;6.61,-49.54,;7.95,-51.84,;6.62,-52.62,;5.28,-51.86,;3.95,-52.63,;3.95,-54.17,;2.61,-54.95,;5.29,-54.95,;6.62,-54.17,)| Show InChI InChI=1S/C80H96N18O15S3/c1-45-70(104)91-59(34-46-14-5-2-6-15-46)74(108)97-65(77(111)90-58(69(83)103)33-50-25-29-54(100)30-26-50)43-116-115-42-64(95-71(105)56(81)32-49-23-27-53(99)28-24-49)78(112)93-60(35-47-16-7-3-8-17-47)73(107)92-61(36-48-18-9-4-10-19-48)75(109)96-63-41-114-44-68(102)98(40-52(89-76(63)110)20-13-31-86-80(84)85)66(37-51-39-87-57-22-12-11-21-55(51)57)79(113)94-62(38-67(82)101)72(106)88-45/h2-12,14-19,21-30,39,45,52,56,58-66,87,99-100H,13,20,31-38,40-44,81H2,1H3,(H2,82,101)(H2,83,103)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,107)(H,93,112)(H,94,113)(H,95,105)(H,96,109)(H,97,108)(H4,84,85,86)/t45-,52-,56-,58-,59-,60-,61+,62-,63+,64-,65-,66-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427691
(CHEMBL2323790)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:87.93,73.78,5.5,37.38,13.13,57.65,wD:102.110,64.106,69.90,46.49,26.28,1.0,(17.33,-11.78,;18.68,-12.54,;20,-11.77,;21.34,-12.53,;21.35,-14.07,;22.68,-11.76,;24.01,-12.53,;24.01,-14.07,;25.35,-14.83,;22.69,-14.84,;22.67,-10.22,;24,-9.44,;25.34,-10.21,;24.02,-7.88,;25.35,-7.12,;26.64,-7.97,;28.07,-7.44,;29.02,-8.65,;28.17,-9.93,;28.55,-11.41,;27.46,-12.48,;25.97,-12.07,;25.6,-10.59,;26.69,-9.51,;22.67,-7.12,;22.68,-5.58,;21.35,-4.82,;22.68,-4.06,;24.02,-4.83,;25.35,-4.06,;26.68,-4.84,;28.02,-4.07,;29.36,-4.85,;28.03,-2.52,;21.35,-3.29,;20.03,-2.52,;20.04,-.97,;18.68,-3.27,;18.68,-4.81,;20.02,-5.58,;20.02,-7.13,;21.36,-7.9,;21.36,-9.44,;17.36,-2.51,;16.03,-3.27,;14.7,-2.5,;16.03,-4.81,;14.69,-5.58,;13.35,-4.8,;13.36,-3.27,;12.04,-2.49,;10.69,-3.26,;10.7,-4.8,;12.03,-5.58,;17.35,-5.59,;12.54,-11.3,;11.5,-12.48,;12.04,-9.81,;12.93,-8.55,;12.01,-7.31,;10.54,-7.81,;10.56,-9.35,;9.32,-10.27,;7.99,-9.5,;9.33,-11.81,;10.67,-12.57,;10.67,-14.11,;12.01,-14.88,;12.01,-16.42,;13.35,-17.18,;14.69,-16.41,;16.02,-17.18,;16.02,-18.72,;17.35,-16.4,;18.69,-17.17,;18.7,-18.71,;17.36,-19.48,;17.37,-21.02,;18.71,-21.78,;20.04,-21,;20.03,-19.47,;17.35,-14.86,;18.68,-14.08,;20.01,-14.85,;13.36,-18.72,;14.7,-19.5,;12.02,-19.5,;12.03,-21.04,;13.37,-21.81,;13.38,-23.35,;12.04,-24.12,;12.05,-25.66,;13.39,-26.43,;13.39,-27.97,;14.72,-25.64,;14.71,-24.11,;10.7,-21.82,;10.71,-23.36,;9.36,-21.05,;8,-12.58,;8.01,-14.13,;9.34,-14.89,;6.67,-14.9,;5.33,-14.14,;6.68,-16.44,;5.34,-17.22,;4.01,-16.46,;2.68,-17.23,;2.68,-18.77,;1.34,-19.54,;4.01,-19.54,;5.35,-18.76,)| Show InChI InChI=1S/C76H94N18O15S3/c1-42-66(100)87-55(32-43-12-4-2-5-13-43)69(103)91-59(72(106)86-54(65(79)99)31-46-22-26-50(96)27-23-46)39-111-112-40-60(92-67(101)52(77)30-45-20-24-49(95)25-21-45)75(109)93-29-11-19-61(93)73(107)88-56(33-44-14-6-3-7-15-44)70(104)90-58-38-110-41-64(98)94(37-48(85-71(58)105)16-10-28-82-76(80)81)62(34-47-36-83-53-18-9-8-17-51(47)53)74(108)89-57(35-63(78)97)68(102)84-42/h2-9,12-15,17-18,20-27,36,42,48,52,54-62,83,95-96H,10-11,16,19,28-35,37-41,77H2,1H3,(H2,78,97)(H2,79,99)(H,84,102)(H,85,105)(H,86,106)(H,87,100)(H,88,107)(H,89,108)(H,90,104)(H,91,103)(H,92,101)(H4,80,81,82)/t42-,48-,52-,54-,55-,56+,57-,58+,59-,60-,61-,62-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427680
(CHEMBL2323786)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,wD:106.114,68.110,73.94,47.50,27.29,13.13,1.0,(34.2,-28.89,;35.54,-29.65,;36.87,-28.88,;38.2,-29.64,;38.21,-31.18,;39.54,-28.86,;40.87,-29.63,;40.87,-31.17,;42.21,-31.93,;39.55,-31.94,;39.53,-27.33,;40.86,-26.55,;42.2,-27.32,;40.88,-25,;42.2,-24.23,;43.56,-25.02,;43.55,-26.59,;44.9,-27.38,;46.26,-26.59,;47.62,-27.38,;48.98,-26.59,;48.98,-25.01,;47.62,-24.23,;46.26,-25.02,;44.91,-24.24,;39.54,-24.23,;39.54,-22.7,;38.21,-21.94,;39.54,-21.18,;40.88,-21.94,;42.2,-21.18,;43.54,-21.96,;44.87,-21.19,;46.2,-21.97,;44.88,-19.65,;38.21,-20.42,;36.89,-19.64,;36.9,-18.1,;35.55,-20.4,;35.55,-21.93,;36.88,-22.7,;36.88,-24.25,;38.22,-25.01,;38.22,-26.55,;34.23,-19.63,;32.9,-20.39,;31.54,-19.61,;32.9,-21.93,;31.56,-22.7,;30.2,-21.92,;28.86,-22.7,;27.5,-21.92,;27.49,-20.35,;28.85,-19.57,;30.22,-20.36,;34.22,-22.71,;28.92,-24.29,;30.19,-25.05,;27.53,-25.07,;26.18,-24.28,;24.61,-24.32,;23.71,-25.61,;22.21,-25.16,;22.18,-23.59,;23.66,-23.07,;27.54,-26.6,;26.21,-27.38,;24.87,-26.61,;26.21,-28.92,;27.55,-29.68,;27.55,-31.22,;28.88,-31.99,;28.89,-33.52,;30.23,-34.28,;31.56,-33.51,;32.89,-34.28,;32.9,-35.81,;34.22,-33.5,;35.55,-34.27,;35.56,-35.81,;34.23,-36.58,;34.24,-38.11,;35.58,-38.88,;36.91,-38.09,;36.9,-36.56,;34.22,-31.96,;35.54,-31.19,;36.88,-31.95,;30.24,-35.82,;31.57,-36.59,;28.9,-36.6,;28.91,-38.14,;30.25,-38.9,;30.26,-40.44,;28.92,-41.21,;28.93,-42.75,;30.26,-43.51,;30.27,-45.05,;31.59,-42.73,;31.58,-41.2,;27.58,-38.91,;27.59,-40.45,;26.24,-38.14,;24.88,-29.69,;24.89,-31.23,;26.22,-31.99,;23.56,-32,;22.22,-31.24,;23.57,-33.54,;22.23,-34.31,;20.9,-33.56,;19.57,-34.33,;19.57,-35.86,;18.24,-36.64,;20.9,-36.64,;22.24,-35.86,)| Show InChI InChI=1S/C79H95N19O15S3/c1-44-69(104)91-58(32-45-11-4-2-5-12-45)72(107)97-64(76(111)90-57(68(82)103)31-48-21-26-55(100)27-22-48)41-116-115-40-63(95-70(105)56(80)30-47-19-24-54(99)25-20-47)77(112)93-60(35-53-37-85-43-87-53)74(109)92-59(33-46-13-6-3-7-14-46)73(108)96-62-39-114-42-67(102)98(38-52(89-75(62)110)17-10-28-86-79(83)84)65(78(113)94-61(36-66(81)101)71(106)88-44)34-49-18-23-50-15-8-9-16-51(50)29-49/h2-9,11-16,18-27,29,37,43-44,52,56-65,99-100H,10,17,28,30-36,38-42,80H2,1H3,(H2,81,101)(H2,82,103)(H,85,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,83,84,86)/t44-,52-,56-,57-,58-,59+,60-,61-,62+,63-,64-,65+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427678
(CHEMBL2323788)Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:85.90,14.14,30.31,1.0,62.64,38.39,wD:100.107,5.103,10.87,71.75,51.54,25.26,(29.25,-18.72,;30.6,-19.49,;30.61,-21.03,;29.27,-21.81,;27.94,-21.04,;29.28,-23.35,;30.62,-24.11,;30.62,-25.65,;31.96,-26.42,;31.97,-27.96,;33.3,-28.73,;34.64,-27.95,;35.97,-28.72,;35.98,-30.26,;37.3,-27.94,;38.64,-28.71,;38.65,-30.25,;37.31,-31.02,;37.32,-32.56,;38.66,-33.33,;39.99,-32.54,;39.98,-31.01,;37.3,-26.4,;38.63,-25.62,;39.96,-26.39,;38.63,-24.08,;37.28,-23.32,;39.96,-23.31,;41.29,-24.08,;41.3,-25.62,;42.63,-23.3,;43.96,-24.07,;43.96,-25.61,;45.3,-26.37,;42.64,-26.38,;42.62,-21.76,;43.95,-20.98,;45.29,-21.75,;43.97,-19.42,;45.3,-18.66,;46.59,-19.51,;48.02,-18.98,;48.98,-20.19,;48.12,-21.48,;48.5,-22.95,;47.41,-24.02,;45.92,-23.62,;45.55,-22.13,;46.64,-21.06,;42.63,-18.66,;42.64,-17.13,;41.3,-16.36,;42.63,-15.6,;43.97,-16.37,;45.3,-15.6,;46.63,-16.38,;47.97,-15.61,;49.31,-16.39,;47.98,-14.07,;41.3,-14.84,;39.98,-14.06,;39.99,-12.52,;38.63,-14.82,;38.63,-16.36,;39.97,-17.12,;39.97,-18.67,;41.31,-19.44,;41.31,-20.98,;37.31,-14.05,;35.98,-14.81,;34.65,-14.04,;35.98,-16.35,;34.64,-17.12,;33.3,-16.35,;33.31,-14.81,;31.99,-14.03,;30.64,-14.8,;30.65,-16.35,;31.98,-17.12,;37.3,-17.13,;31.99,-18.72,;33.26,-19.48,;33.31,-30.27,;34.65,-31.04,;31.98,-31.04,;31.98,-32.58,;33.32,-33.35,;33.33,-34.89,;31.99,-35.67,;32,-37.2,;33.34,-37.97,;33.34,-39.51,;34.67,-37.19,;34.66,-35.65,;30.65,-33.36,;30.66,-34.9,;29.31,-32.59,;27.95,-24.12,;27.96,-25.67,;29.29,-26.43,;26.62,-26.44,;25.28,-25.68,;26.63,-27.98,;25.29,-28.76,;23.96,-28,;22.63,-28.77,;22.63,-30.31,;21.29,-31.08,;23.96,-31.09,;25.3,-30.31,)| Show InChI InChI=1S/C74H92N18O15S3/c1-40-64(98)87-55(31-43-14-7-4-8-15-43)69(103)91-59(72(106)85-53(63(77)97)29-45-21-25-49(94)26-22-45)38-110-109-37-58(89-66(100)51(75)28-44-19-23-48(93)24-20-44)70(104)83-41(2)65(99)86-54(30-42-12-5-3-6-13-42)68(102)90-57-36-108-39-62(96)92(35-47(84-71(57)105)16-11-27-80-74(78)79)60(32-46-34-81-52-18-10-9-17-50(46)52)73(107)88-56(33-61(76)95)67(101)82-40/h3-10,12-15,17-26,34,40-41,47,51,53-60,81,93-94H,11,16,27-33,35-39,75H2,1-2H3,(H2,76,95)(H2,77,97)(H,82,101)(H,83,104)(H,84,105)(H,85,106)(H,86,99)(H,87,98)(H,88,107)(H,89,100)(H,90,102)(H,91,103)(H4,78,79,80)/t40-,41-,47-,51-,53-,54+,55-,56-,57+,58-,59-,60-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.02E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427680
(CHEMBL2323786)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,wD:106.114,68.110,73.94,47.50,27.29,13.13,1.0,(34.2,-28.89,;35.54,-29.65,;36.87,-28.88,;38.2,-29.64,;38.21,-31.18,;39.54,-28.86,;40.87,-29.63,;40.87,-31.17,;42.21,-31.93,;39.55,-31.94,;39.53,-27.33,;40.86,-26.55,;42.2,-27.32,;40.88,-25,;42.2,-24.23,;43.56,-25.02,;43.55,-26.59,;44.9,-27.38,;46.26,-26.59,;47.62,-27.38,;48.98,-26.59,;48.98,-25.01,;47.62,-24.23,;46.26,-25.02,;44.91,-24.24,;39.54,-24.23,;39.54,-22.7,;38.21,-21.94,;39.54,-21.18,;40.88,-21.94,;42.2,-21.18,;43.54,-21.96,;44.87,-21.19,;46.2,-21.97,;44.88,-19.65,;38.21,-20.42,;36.89,-19.64,;36.9,-18.1,;35.55,-20.4,;35.55,-21.93,;36.88,-22.7,;36.88,-24.25,;38.22,-25.01,;38.22,-26.55,;34.23,-19.63,;32.9,-20.39,;31.54,-19.61,;32.9,-21.93,;31.56,-22.7,;30.2,-21.92,;28.86,-22.7,;27.5,-21.92,;27.49,-20.35,;28.85,-19.57,;30.22,-20.36,;34.22,-22.71,;28.92,-24.29,;30.19,-25.05,;27.53,-25.07,;26.18,-24.28,;24.61,-24.32,;23.71,-25.61,;22.21,-25.16,;22.18,-23.59,;23.66,-23.07,;27.54,-26.6,;26.21,-27.38,;24.87,-26.61,;26.21,-28.92,;27.55,-29.68,;27.55,-31.22,;28.88,-31.99,;28.89,-33.52,;30.23,-34.28,;31.56,-33.51,;32.89,-34.28,;32.9,-35.81,;34.22,-33.5,;35.55,-34.27,;35.56,-35.81,;34.23,-36.58,;34.24,-38.11,;35.58,-38.88,;36.91,-38.09,;36.9,-36.56,;34.22,-31.96,;35.54,-31.19,;36.88,-31.95,;30.24,-35.82,;31.57,-36.59,;28.9,-36.6,;28.91,-38.14,;30.25,-38.9,;30.26,-40.44,;28.92,-41.21,;28.93,-42.75,;30.26,-43.51,;30.27,-45.05,;31.59,-42.73,;31.58,-41.2,;27.58,-38.91,;27.59,-40.45,;26.24,-38.14,;24.88,-29.69,;24.89,-31.23,;26.22,-31.99,;23.56,-32,;22.22,-31.24,;23.57,-33.54,;22.23,-34.31,;20.9,-33.56,;19.57,-34.33,;19.57,-35.86,;18.24,-36.64,;20.9,-36.64,;22.24,-35.86,)| Show InChI InChI=1S/C79H95N19O15S3/c1-44-69(104)91-58(32-45-11-4-2-5-12-45)72(107)97-64(76(111)90-57(68(82)103)31-48-21-26-55(100)27-22-48)41-116-115-40-63(95-70(105)56(80)30-47-19-24-54(99)25-20-47)77(112)93-60(35-53-37-85-43-87-53)74(109)92-59(33-46-13-6-3-7-14-46)73(108)96-62-39-114-42-67(102)98(38-52(89-75(62)110)17-10-28-86-79(83)84)65(78(113)94-61(36-66(81)101)71(106)88-44)34-49-18-23-50-15-8-9-16-51(50)29-49/h2-9,11-16,18-27,29,37,43-44,52,56-65,99-100H,10,17,28,30-36,38-42,80H2,1H3,(H2,81,101)(H2,82,103)(H,85,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,83,84,86)/t44-,52-,56-,57-,58-,59+,60-,61-,62+,63-,64-,65+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427694
(CHEMBL2323794)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:94.101,80.86,5.5,61.66,37.38,13.13,wD:109.118,71.114,76.98,46.49,26.28,1.0,(34.6,-27.15,;35.95,-27.92,;37.27,-27.15,;38.61,-27.91,;38.62,-29.45,;39.94,-27.13,;41.28,-27.9,;41.28,-29.44,;42.61,-30.2,;39.95,-30.21,;39.93,-25.59,;41.27,-24.82,;42.6,-25.58,;41.28,-23.26,;42.61,-22.5,;43.9,-23.35,;45.33,-22.82,;46.28,-24.03,;45.43,-25.31,;45.81,-26.78,;44.72,-27.85,;43.24,-27.45,;42.86,-25.96,;43.95,-24.89,;39.94,-22.5,;39.95,-20.97,;38.61,-20.2,;39.95,-19.44,;41.28,-20.21,;42.61,-19.44,;43.95,-20.22,;45.28,-19.45,;46.61,-20.23,;45.29,-17.91,;38.62,-18.68,;37.29,-17.9,;37.3,-16.36,;35.95,-18.66,;35.95,-20.2,;37.29,-20.96,;37.29,-22.51,;38.62,-23.28,;38.63,-24.82,;34.63,-17.89,;33.3,-18.65,;31.94,-17.87,;33.3,-20.19,;31.96,-20.96,;30.6,-20.18,;29.25,-20.96,;27.9,-20.19,;27.89,-18.61,;26.54,-17.83,;26.54,-16.27,;27.9,-15.48,;29.25,-16.27,;29.25,-17.83,;30.61,-18.62,;34.62,-20.97,;29.31,-22.55,;30.59,-23.32,;27.93,-23.33,;26.58,-22.55,;25.01,-22.58,;24.11,-23.88,;22.61,-23.42,;22.57,-21.85,;24.05,-21.34,;27.94,-24.87,;26.6,-25.65,;25.27,-24.88,;26.61,-27.18,;27.95,-27.95,;27.95,-29.48,;29.28,-30.25,;29.29,-31.79,;30.63,-32.55,;31.96,-31.78,;33.3,-32.55,;33.3,-34.08,;34.62,-31.77,;35.96,-32.54,;35.97,-34.08,;34.63,-34.85,;34.64,-36.38,;35.98,-37.15,;37.31,-36.37,;37.3,-34.83,;34.62,-30.23,;35.95,-29.45,;37.28,-30.22,;30.64,-34.09,;31.97,-34.86,;29.3,-34.87,;29.31,-36.41,;30.65,-37.18,;30.65,-38.72,;29.32,-39.49,;29.32,-41.02,;30.66,-41.79,;30.66,-43.32,;31.99,-41,;31.98,-39.47,;27.98,-37.18,;27.99,-38.72,;26.64,-36.42,;25.28,-27.95,;25.29,-29.5,;26.62,-30.26,;23.95,-30.27,;22.62,-29.51,;23.96,-31.81,;22.63,-32.58,;21.29,-31.82,;19.96,-32.59,;19.97,-34.13,;18.63,-34.91,;21.3,-34.91,;22.63,-34.13,)| Show InChI InChI=1S/C81H96N20O15S3/c1-44-71(107)94-60(31-45-10-3-2-4-11-45)74(110)100-66(78(114)93-59(70(84)106)30-47-20-25-55(103)26-21-47)41-119-118-40-65(98-72(108)57(82)29-46-18-23-54(102)24-19-46)79(115)96-62(34-53-37-87-43-90-53)76(112)95-61(32-48-17-22-49-12-5-6-13-50(49)28-48)75(111)99-64-39-117-42-69(105)101(38-52(92-77(64)113)14-9-27-88-81(85)86)67(33-51-36-89-58-16-8-7-15-56(51)58)80(116)97-63(35-68(83)104)73(109)91-44/h2-8,10-13,15-26,28,36-37,43-44,52,57,59-67,89,102-103H,9,14,27,29-35,38-42,82H2,1H3,(H2,83,104)(H2,84,106)(H,87,90)(H,91,109)(H,92,113)(H,93,114)(H,94,107)(H,95,112)(H,96,115)(H,97,116)(H,98,108)(H,99,111)(H,100,110)(H4,85,86,88)/t44-,52-,57-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427689
(CHEMBL2323792)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:84.89,70.74,5.5,51.54,37.38,46.49,13.13,wD:99.106,61.102,66.86,26.28,1.0,(17.51,-48.64,;18.85,-49.41,;20.18,-48.64,;21.52,-49.4,;21.52,-50.94,;22.85,-48.62,;24.19,-49.39,;24.19,-50.93,;25.52,-51.69,;22.86,-51.7,;22.84,-47.08,;24.18,-46.3,;25.51,-47.07,;24.19,-44.75,;25.52,-43.98,;26.81,-44.84,;28.25,-44.31,;29.2,-45.52,;28.34,-46.8,;28.73,-48.27,;27.63,-49.34,;26.15,-48.94,;25.77,-47.45,;26.86,-46.38,;22.85,-43.98,;22.86,-42.45,;21.52,-41.68,;22.86,-40.92,;24.19,-41.69,;25.52,-40.93,;26.86,-41.7,;28.19,-40.94,;29.53,-41.71,;28.2,-39.39,;21.53,-40.16,;20.2,-39.38,;20.21,-37.84,;18.86,-40.14,;18.86,-41.68,;20.19,-42.45,;20.19,-44,;21.53,-44.76,;21.54,-46.3,;17.54,-39.37,;16.2,-40.14,;14.87,-39.37,;16.2,-41.68,;14.86,-42.45,;17.53,-42.45,;12.21,-44.04,;13.49,-44.8,;10.82,-44.82,;9.47,-44.04,;9.47,-42.47,;8.19,-41.55,;8.67,-40.05,;10.24,-40.05,;10.73,-41.54,;10.83,-46.36,;9.5,-47.13,;8.16,-46.36,;9.51,-48.67,;10.84,-49.44,;10.84,-50.98,;12.18,-51.75,;12.19,-53.29,;13.53,-54.05,;14.86,-53.27,;16.2,-54.04,;16.2,-55.58,;17.53,-53.26,;18.86,-54.03,;18.87,-55.57,;17.54,-56.35,;17.55,-57.88,;18.88,-58.65,;20.22,-57.87,;20.21,-56.33,;17.52,-51.72,;18.85,-50.95,;20.19,-51.72,;13.53,-55.59,;14.87,-56.36,;12.2,-56.37,;12.21,-57.91,;13.54,-58.68,;13.55,-60.22,;12.21,-60.99,;12.22,-62.53,;13.56,-63.29,;13.56,-64.83,;14.89,-62.51,;14.88,-60.97,;10.87,-58.68,;10.88,-60.22,;9.54,-57.91,;8.17,-49.44,;8.18,-50.99,;9.52,-51.75,;6.84,-51.76,;5.51,-51,;6.85,-53.3,;5.52,-54.08,;4.18,-53.32,;2.85,-54.09,;2.86,-55.63,;1.51,-56.41,;4.19,-56.41,;5.53,-55.63,)| Show InChI InChI=1S/C71H90N20O15S3/c1-37-61(97)85-51(25-39-9-4-3-5-10-39)66(102)90-56(68(104)84-50(60(74)96)24-41-16-20-46(93)21-17-41)34-109-108-33-55(89-63(99)48(72)23-40-14-18-45(92)19-15-40)69(105)86-52(27-44-30-77-36-80-44)64(100)81-38(2)62(98)88-54-32-107-35-59(95)91(31-43(83-67(54)103)11-8-22-78-71(75)76)57(26-42-29-79-49-13-7-6-12-47(42)49)70(106)87-53(28-58(73)94)65(101)82-37/h3-7,9-10,12-21,29-30,36-38,43,48,50-57,79,92-93H,8,11,22-28,31-35,72H2,1-2H3,(H2,73,94)(H2,74,96)(H,77,80)(H,81,100)(H,82,101)(H,83,103)(H,84,104)(H,85,97)(H,86,105)(H,87,106)(H,88,98)(H,89,99)(H,90,102)(H4,75,76,78)/t37-,38-,43-,48-,50-,51-,52-,53-,54+,55-,56-,57-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427680
(CHEMBL2323786)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,wD:106.114,68.110,73.94,47.50,27.29,13.13,1.0,(34.2,-28.89,;35.54,-29.65,;36.87,-28.88,;38.2,-29.64,;38.21,-31.18,;39.54,-28.86,;40.87,-29.63,;40.87,-31.17,;42.21,-31.93,;39.55,-31.94,;39.53,-27.33,;40.86,-26.55,;42.2,-27.32,;40.88,-25,;42.2,-24.23,;43.56,-25.02,;43.55,-26.59,;44.9,-27.38,;46.26,-26.59,;47.62,-27.38,;48.98,-26.59,;48.98,-25.01,;47.62,-24.23,;46.26,-25.02,;44.91,-24.24,;39.54,-24.23,;39.54,-22.7,;38.21,-21.94,;39.54,-21.18,;40.88,-21.94,;42.2,-21.18,;43.54,-21.96,;44.87,-21.19,;46.2,-21.97,;44.88,-19.65,;38.21,-20.42,;36.89,-19.64,;36.9,-18.1,;35.55,-20.4,;35.55,-21.93,;36.88,-22.7,;36.88,-24.25,;38.22,-25.01,;38.22,-26.55,;34.23,-19.63,;32.9,-20.39,;31.54,-19.61,;32.9,-21.93,;31.56,-22.7,;30.2,-21.92,;28.86,-22.7,;27.5,-21.92,;27.49,-20.35,;28.85,-19.57,;30.22,-20.36,;34.22,-22.71,;28.92,-24.29,;30.19,-25.05,;27.53,-25.07,;26.18,-24.28,;24.61,-24.32,;23.71,-25.61,;22.21,-25.16,;22.18,-23.59,;23.66,-23.07,;27.54,-26.6,;26.21,-27.38,;24.87,-26.61,;26.21,-28.92,;27.55,-29.68,;27.55,-31.22,;28.88,-31.99,;28.89,-33.52,;30.23,-34.28,;31.56,-33.51,;32.89,-34.28,;32.9,-35.81,;34.22,-33.5,;35.55,-34.27,;35.56,-35.81,;34.23,-36.58,;34.24,-38.11,;35.58,-38.88,;36.91,-38.09,;36.9,-36.56,;34.22,-31.96,;35.54,-31.19,;36.88,-31.95,;30.24,-35.82,;31.57,-36.59,;28.9,-36.6,;28.91,-38.14,;30.25,-38.9,;30.26,-40.44,;28.92,-41.21,;28.93,-42.75,;30.26,-43.51,;30.27,-45.05,;31.59,-42.73,;31.58,-41.2,;27.58,-38.91,;27.59,-40.45,;26.24,-38.14,;24.88,-29.69,;24.89,-31.23,;26.22,-31.99,;23.56,-32,;22.22,-31.24,;23.57,-33.54,;22.23,-34.31,;20.9,-33.56,;19.57,-34.33,;19.57,-35.86,;18.24,-36.64,;20.9,-36.64,;22.24,-35.86,)| Show InChI InChI=1S/C79H95N19O15S3/c1-44-69(104)91-58(32-45-11-4-2-5-12-45)72(107)97-64(76(111)90-57(68(82)103)31-48-21-26-55(100)27-22-48)41-116-115-40-63(95-70(105)56(80)30-47-19-24-54(99)25-20-47)77(112)93-60(35-53-37-85-43-87-53)74(109)92-59(33-46-13-6-3-7-14-46)73(108)96-62-39-114-42-67(102)98(38-52(89-75(62)110)17-10-28-86-79(83)84)65(78(113)94-61(36-66(81)101)71(106)88-44)34-49-18-23-50-15-8-9-16-51(50)29-49/h2-9,11-16,18-27,29,37,43-44,52,56-65,99-100H,10,17,28,30-36,38-42,80H2,1H3,(H2,81,101)(H2,82,103)(H,85,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,83,84,86)/t44-,52-,56-,57-,58-,59+,60-,61-,62+,63-,64-,65+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427685
(CHEMBL2323798)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C77H94N18O15S3/c1-43-68(101)88-57(30-44-12-4-2-5-13-44)71(104)94-63(75(108)87-56(67(81)100)29-47-21-25-52(97)26-22-47)40-113-112-39-62(92-69(102)54(79)28-46-19-23-51(96)24-20-46)76(109)90-59(33-50-36-82-42-84-50)73(106)89-58(31-45-14-6-3-7-15-45)72(105)93-61-38-111-41-66(99)95(37-49(86-74(61)107)16-10-11-27-78)64(32-48-35-83-55-18-9-8-17-53(48)55)77(110)91-60(34-65(80)98)70(103)85-43/h2-9,12-15,17-26,35-36,42-43,49,54,56-64,83,96-97H,10-11,16,27-34,37-41,78-79H2,1H3,(H2,80,98)(H2,81,100)(H,82,84)(H,85,103)(H,86,107)(H,87,108)(H,88,101)(H,89,106)(H,90,109)(H,91,110)(H,92,102)(H,93,105)(H,94,104)/t43-,49-,54-,56-,57-,58+,59-,60-,61+,62-,63-,64-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 460 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427693
(CHEMBL2323796)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:96.103,82.88,5.5,63.68,37.38,13.13,wD:111.120,73.116,78.100,46.49,26.28,1.0,(24.22,-12.49,;25.56,-13.25,;26.88,-12.48,;28.22,-13.24,;28.23,-14.78,;29.55,-12.46,;30.89,-13.23,;30.89,-14.77,;32.23,-15.53,;29.56,-15.54,;29.55,-10.93,;30.88,-10.15,;32.21,-10.92,;30.9,-8.59,;32.22,-7.83,;33.51,-8.68,;34.95,-8.15,;35.9,-9.36,;35.04,-10.64,;35.42,-12.12,;34.33,-13.19,;32.85,-12.78,;32.48,-11.3,;33.56,-10.22,;29.55,-7.83,;29.56,-6.3,;28.22,-5.53,;29.56,-4.77,;30.9,-5.54,;32.22,-4.78,;33.56,-5.55,;34.89,-4.79,;36.23,-5.56,;34.9,-3.24,;28.23,-4.01,;26.91,-3.23,;26.92,-1.7,;25.56,-3.99,;25.57,-5.53,;26.9,-6.29,;26.9,-7.84,;28.24,-8.61,;28.24,-10.15,;24.25,-3.23,;22.91,-3.99,;21.55,-3.2,;22.91,-5.53,;21.57,-6.3,;20.22,-5.51,;18.87,-6.3,;17.51,-5.52,;17.5,-3.94,;18.86,-3.16,;20.23,-3.95,;16.14,-3.15,;16.15,-1.58,;14.79,-.79,;13.43,-1.57,;13.43,-3.15,;14.79,-3.93,;24.24,-6.3,;18.93,-7.89,;20.2,-8.65,;17.54,-8.66,;16.19,-7.88,;14.62,-7.92,;13.72,-9.21,;12.22,-8.76,;12.18,-7.19,;13.66,-6.67,;17.55,-10.2,;16.21,-10.98,;14.88,-10.21,;16.22,-12.52,;17.56,-13.28,;17.56,-14.82,;18.89,-15.59,;18.9,-17.13,;20.24,-17.89,;21.57,-17.11,;22.91,-17.88,;22.91,-19.42,;24.23,-17.1,;25.57,-17.87,;25.58,-19.41,;24.25,-20.18,;24.25,-21.72,;25.59,-22.48,;26.92,-21.7,;26.91,-20.17,;24.23,-15.56,;25.56,-14.79,;26.89,-15.56,;20.25,-19.43,;21.58,-20.2,;18.91,-20.2,;18.92,-21.74,;20.26,-22.51,;20.27,-24.05,;18.93,-24.82,;18.94,-26.36,;20.27,-27.12,;20.28,-28.66,;21.61,-26.34,;21.6,-24.81,;17.59,-22.52,;17.6,-24.06,;16.25,-21.75,;14.89,-13.29,;14.9,-14.83,;16.23,-15.59,;13.56,-15.6,;12.23,-14.84,;13.57,-17.14,;12.24,-17.92,;10.9,-17.16,;9.57,-17.93,;9.58,-19.47,;8.24,-20.24,;10.91,-20.24,;12.25,-19.46,)| Show InChI InChI=1S/C83H98N20O15S3/c1-46-73(109)96-62(33-47-11-4-2-5-12-47)76(112)102-68(80(116)95-61(72(86)108)32-50-22-28-57(105)29-23-50)43-121-120-42-67(100-74(110)59(84)31-48-20-26-56(104)27-21-48)81(117)98-64(36-55-39-89-45-92-55)78(114)97-63(34-49-18-24-52(25-19-49)51-13-6-3-7-14-51)77(113)101-66-41-119-44-71(107)103(40-54(94-79(66)115)15-10-30-90-83(87)88)69(35-53-38-91-60-17-9-8-16-58(53)60)82(118)99-65(37-70(85)106)75(111)93-46/h2-9,11-14,16-29,38-39,45-46,54,59,61-69,91,104-105H,10,15,30-37,40-44,84H2,1H3,(H2,85,106)(H2,86,108)(H,89,92)(H,93,111)(H,94,115)(H,95,116)(H,96,109)(H,97,114)(H,98,117)(H,99,118)(H,100,110)(H,101,113)(H,102,112)(H4,87,88,90)/t46-,54-,59-,61-,62-,63+,64-,65-,66+,67-,68-,69-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427691
(CHEMBL2323790)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:87.93,73.78,5.5,37.38,13.13,57.65,wD:102.110,64.106,69.90,46.49,26.28,1.0,(17.33,-11.78,;18.68,-12.54,;20,-11.77,;21.34,-12.53,;21.35,-14.07,;22.68,-11.76,;24.01,-12.53,;24.01,-14.07,;25.35,-14.83,;22.69,-14.84,;22.67,-10.22,;24,-9.44,;25.34,-10.21,;24.02,-7.88,;25.35,-7.12,;26.64,-7.97,;28.07,-7.44,;29.02,-8.65,;28.17,-9.93,;28.55,-11.41,;27.46,-12.48,;25.97,-12.07,;25.6,-10.59,;26.69,-9.51,;22.67,-7.12,;22.68,-5.58,;21.35,-4.82,;22.68,-4.06,;24.02,-4.83,;25.35,-4.06,;26.68,-4.84,;28.02,-4.07,;29.36,-4.85,;28.03,-2.52,;21.35,-3.29,;20.03,-2.52,;20.04,-.97,;18.68,-3.27,;18.68,-4.81,;20.02,-5.58,;20.02,-7.13,;21.36,-7.9,;21.36,-9.44,;17.36,-2.51,;16.03,-3.27,;14.7,-2.5,;16.03,-4.81,;14.69,-5.58,;13.35,-4.8,;13.36,-3.27,;12.04,-2.49,;10.69,-3.26,;10.7,-4.8,;12.03,-5.58,;17.35,-5.59,;12.54,-11.3,;11.5,-12.48,;12.04,-9.81,;12.93,-8.55,;12.01,-7.31,;10.54,-7.81,;10.56,-9.35,;9.32,-10.27,;7.99,-9.5,;9.33,-11.81,;10.67,-12.57,;10.67,-14.11,;12.01,-14.88,;12.01,-16.42,;13.35,-17.18,;14.69,-16.41,;16.02,-17.18,;16.02,-18.72,;17.35,-16.4,;18.69,-17.17,;18.7,-18.71,;17.36,-19.48,;17.37,-21.02,;18.71,-21.78,;20.04,-21,;20.03,-19.47,;17.35,-14.86,;18.68,-14.08,;20.01,-14.85,;13.36,-18.72,;14.7,-19.5,;12.02,-19.5,;12.03,-21.04,;13.37,-21.81,;13.38,-23.35,;12.04,-24.12,;12.05,-25.66,;13.39,-26.43,;13.39,-27.97,;14.72,-25.64,;14.71,-24.11,;10.7,-21.82,;10.71,-23.36,;9.36,-21.05,;8,-12.58,;8.01,-14.13,;9.34,-14.89,;6.67,-14.9,;5.33,-14.14,;6.68,-16.44,;5.34,-17.22,;4.01,-16.46,;2.68,-17.23,;2.68,-18.77,;1.34,-19.54,;4.01,-19.54,;5.35,-18.76,)| Show InChI InChI=1S/C76H94N18O15S3/c1-42-66(100)87-55(32-43-12-4-2-5-13-43)69(103)91-59(72(106)86-54(65(79)99)31-46-22-26-50(96)27-23-46)39-111-112-40-60(92-67(101)52(77)30-45-20-24-49(95)25-21-45)75(109)93-29-11-19-61(93)73(107)88-56(33-44-14-6-3-7-15-44)70(104)90-58-38-110-41-64(98)94(37-48(85-71(58)105)16-10-28-82-76(80)81)62(34-47-36-83-53-18-9-8-17-51(47)53)74(108)89-57(35-63(78)97)68(102)84-42/h2-9,12-15,17-18,20-27,36,42,48,52,54-62,83,95-96H,10-11,16,19,28-35,37-41,77H2,1H3,(H2,78,97)(H2,79,99)(H,84,102)(H,85,105)(H,86,106)(H,87,100)(H,88,107)(H,89,108)(H,90,104)(H,91,103)(H,92,101)(H4,80,81,82)/t42-,48-,52-,54-,55-,56+,57-,58+,59-,60-,61-,62-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427692
(CHEMBL2323789)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,57.61,37.38,13.13,wD:106.114,68.110,73.94,46.49,26.28,1.0,(18.6,-47.18,;19.95,-47.95,;21.28,-47.18,;22.61,-47.94,;22.62,-49.48,;23.95,-47.16,;25.29,-47.93,;25.29,-49.47,;26.62,-50.23,;23.96,-50.24,;23.94,-45.62,;25.28,-44.84,;26.61,-45.61,;25.29,-43.29,;26.62,-42.52,;27.91,-43.38,;29.35,-42.85,;30.3,-44.06,;29.44,-45.34,;29.83,-46.81,;28.73,-47.88,;27.25,-47.48,;26.87,-45.99,;27.96,-44.92,;23.95,-42.52,;23.96,-40.99,;22.62,-40.22,;23.96,-39.46,;25.29,-40.23,;26.62,-39.47,;27.96,-40.24,;29.29,-39.48,;30.63,-40.25,;29.3,-37.93,;22.62,-38.7,;21.3,-37.92,;21.31,-36.38,;19.95,-38.68,;19.96,-40.22,;21.29,-40.99,;21.29,-42.54,;22.63,-43.3,;22.63,-44.84,;18.63,-37.91,;17.3,-38.68,;15.97,-37.91,;17.3,-40.22,;15.96,-40.99,;14.63,-40.21,;14.64,-38.67,;13.31,-37.89,;11.96,-38.66,;11.97,-40.21,;13.3,-40.98,;18.63,-40.99,;13.31,-42.58,;14.59,-43.34,;11.92,-43.36,;10.57,-42.58,;9.77,-41.21,;10.57,-39.84,;9.77,-38.47,;8.18,-38.47,;7.39,-39.86,;8.2,-41.22,;11.93,-44.9,;10.6,-45.67,;9.26,-44.9,;10.6,-47.21,;11.94,-47.98,;11.94,-49.52,;13.28,-50.29,;13.29,-51.83,;14.62,-52.59,;15.96,-51.81,;17.3,-52.58,;17.3,-54.12,;18.62,-51.8,;19.96,-52.57,;19.97,-54.11,;18.64,-54.89,;18.64,-56.42,;19.98,-57.19,;21.32,-56.41,;21.31,-54.87,;18.62,-50.26,;19.95,-49.49,;21.29,-50.26,;14.63,-54.13,;15.97,-54.9,;13.3,-54.91,;13.31,-56.45,;14.64,-57.22,;14.65,-58.76,;13.31,-59.53,;13.32,-61.07,;14.66,-61.83,;14.66,-63.37,;15.99,-61.05,;15.98,-59.51,;11.97,-57.22,;11.98,-58.76,;10.63,-56.45,;9.27,-47.98,;9.28,-49.53,;10.61,-50.29,;7.94,-50.3,;6.61,-49.54,;7.95,-51.84,;6.62,-52.62,;5.28,-51.86,;3.95,-52.63,;3.95,-54.17,;2.61,-54.95,;5.29,-54.95,;6.62,-54.17,)| Show InChI InChI=1S/C80H96N18O15S3/c1-45-70(104)91-59(34-46-14-5-2-6-15-46)74(108)97-65(77(111)90-58(69(83)103)33-50-25-29-54(100)30-26-50)43-116-115-42-64(95-71(105)56(81)32-49-23-27-53(99)28-24-49)78(112)93-60(35-47-16-7-3-8-17-47)73(107)92-61(36-48-18-9-4-10-19-48)75(109)96-63-41-114-44-68(102)98(40-52(89-76(63)110)20-13-31-86-80(84)85)66(37-51-39-87-57-22-12-11-21-55(51)57)79(113)94-62(38-67(82)101)72(106)88-45/h2-12,14-19,21-30,39,45,52,56,58-66,87,99-100H,13,20,31-38,40-44,81H2,1H3,(H2,82,101)(H2,83,103)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,107)(H,93,112)(H,94,113)(H,95,105)(H,96,109)(H,97,108)(H4,84,85,86)/t45-,52-,56-,58-,59-,60-,61+,62-,63+,64-,65-,66-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 415 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427690
(CHEMBL2323791)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:86.92,72.77,5.5,53.57,37.38,13.13,wD:101.109,63.105,68.89,26.28,1.0,46.53,(40.41,-24.22,;41.75,-24.98,;43.08,-24.21,;44.42,-24.97,;44.43,-26.51,;45.75,-24.2,;47.09,-24.97,;47.09,-26.51,;48.43,-27.27,;45.76,-27.28,;45.74,-22.66,;47.08,-21.88,;48.42,-22.65,;47.09,-20.32,;48.42,-19.56,;49.71,-20.41,;51.15,-19.88,;52.1,-21.09,;51.25,-22.37,;51.63,-23.85,;50.53,-24.92,;49.05,-24.51,;48.68,-23.03,;49.77,-21.95,;45.75,-19.56,;45.76,-18.02,;44.42,-17.26,;45.76,-16.5,;47.1,-17.26,;48.42,-16.5,;49.76,-17.28,;51.09,-16.51,;52.43,-17.29,;51.1,-14.96,;44.43,-15.73,;43.1,-14.96,;43.11,-13.42,;41.76,-15.71,;41.75,-17.22,;43.09,-18.02,;43.1,-19.57,;44.43,-20.34,;44.44,-21.88,;40.44,-14.95,;39.07,-15.72,;37.77,-14.94,;38.98,-17.27,;40.26,-18.11,;39.85,-19.59,;38.32,-19.65,;37.79,-18.22,;35.11,-19.61,;36.39,-20.38,;33.73,-20.39,;32.37,-19.62,;32.37,-18.05,;31.09,-17.13,;31.57,-15.63,;33.14,-15.63,;33.63,-17.12,;33.73,-21.93,;32.4,-22.71,;31.06,-21.94,;32.41,-24.25,;33.74,-25.01,;33.75,-26.55,;35.08,-27.32,;35.09,-28.86,;36.43,-29.62,;37.76,-28.85,;39.1,-29.62,;39.1,-31.16,;40.43,-28.84,;41.76,-29.61,;41.77,-31.15,;40.44,-31.92,;40.45,-33.46,;41.79,-34.22,;43.12,-33.44,;43.11,-31.91,;40.43,-27.3,;41.75,-26.52,;43.09,-27.29,;36.44,-31.16,;37.77,-31.93,;35.1,-31.94,;35.11,-33.48,;36.45,-34.25,;36.46,-35.79,;35.12,-36.56,;35.12,-38.1,;36.46,-38.86,;36.47,-40.4,;37.8,-38.08,;37.79,-36.55,;33.77,-34.26,;33.78,-35.8,;32.44,-33.49,;31.07,-25.02,;31.08,-26.57,;32.42,-27.33,;29.75,-27.34,;28.41,-26.57,;29.75,-28.88,;28.42,-29.65,;27.08,-28.89,;25.75,-29.67,;25.76,-31.2,;24.42,-31.98,;27.09,-31.98,;28.43,-31.2,)| Show InChI InChI=1S/C73H92N20O15S3/c1-39-63(99)86-52(27-40-9-3-2-4-10-40)66(102)90-57(68(104)85-51(62(76)98)26-42-17-21-47(95)22-18-42)36-111-110-35-56(89-64(100)49(74)25-41-15-19-46(94)20-16-41)69(105)88-54(29-45-32-79-38-82-45)72(108)92-24-8-14-58(92)70(106)91-55-34-109-37-61(97)93(33-44(84-67(55)103)11-7-23-80-73(77)78)59(28-43-31-81-50-13-6-5-12-48(43)50)71(107)87-53(30-60(75)96)65(101)83-39/h2-6,9-10,12-13,15-22,31-32,38-39,44,49,51-59,81,94-95H,7-8,11,14,23-30,33-37,74H2,1H3,(H2,75,96)(H2,76,98)(H,79,82)(H,83,101)(H,84,103)(H,85,104)(H,86,99)(H,87,107)(H,88,105)(H,89,100)(H,90,102)(H,91,106)(H4,77,78,80)/t39-,44-,49-,51-,52-,53-,54-,55+,56-,57-,58-,59-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427691
(CHEMBL2323790)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:87.93,73.78,5.5,37.38,13.13,57.65,wD:102.110,64.106,69.90,46.49,26.28,1.0,(17.33,-11.78,;18.68,-12.54,;20,-11.77,;21.34,-12.53,;21.35,-14.07,;22.68,-11.76,;24.01,-12.53,;24.01,-14.07,;25.35,-14.83,;22.69,-14.84,;22.67,-10.22,;24,-9.44,;25.34,-10.21,;24.02,-7.88,;25.35,-7.12,;26.64,-7.97,;28.07,-7.44,;29.02,-8.65,;28.17,-9.93,;28.55,-11.41,;27.46,-12.48,;25.97,-12.07,;25.6,-10.59,;26.69,-9.51,;22.67,-7.12,;22.68,-5.58,;21.35,-4.82,;22.68,-4.06,;24.02,-4.83,;25.35,-4.06,;26.68,-4.84,;28.02,-4.07,;29.36,-4.85,;28.03,-2.52,;21.35,-3.29,;20.03,-2.52,;20.04,-.97,;18.68,-3.27,;18.68,-4.81,;20.02,-5.58,;20.02,-7.13,;21.36,-7.9,;21.36,-9.44,;17.36,-2.51,;16.03,-3.27,;14.7,-2.5,;16.03,-4.81,;14.69,-5.58,;13.35,-4.8,;13.36,-3.27,;12.04,-2.49,;10.69,-3.26,;10.7,-4.8,;12.03,-5.58,;17.35,-5.59,;12.54,-11.3,;11.5,-12.48,;12.04,-9.81,;12.93,-8.55,;12.01,-7.31,;10.54,-7.81,;10.56,-9.35,;9.32,-10.27,;7.99,-9.5,;9.33,-11.81,;10.67,-12.57,;10.67,-14.11,;12.01,-14.88,;12.01,-16.42,;13.35,-17.18,;14.69,-16.41,;16.02,-17.18,;16.02,-18.72,;17.35,-16.4,;18.69,-17.17,;18.7,-18.71,;17.36,-19.48,;17.37,-21.02,;18.71,-21.78,;20.04,-21,;20.03,-19.47,;17.35,-14.86,;18.68,-14.08,;20.01,-14.85,;13.36,-18.72,;14.7,-19.5,;12.02,-19.5,;12.03,-21.04,;13.37,-21.81,;13.38,-23.35,;12.04,-24.12,;12.05,-25.66,;13.39,-26.43,;13.39,-27.97,;14.72,-25.64,;14.71,-24.11,;10.7,-21.82,;10.71,-23.36,;9.36,-21.05,;8,-12.58,;8.01,-14.13,;9.34,-14.89,;6.67,-14.9,;5.33,-14.14,;6.68,-16.44,;5.34,-17.22,;4.01,-16.46,;2.68,-17.23,;2.68,-18.77,;1.34,-19.54,;4.01,-19.54,;5.35,-18.76,)| Show InChI InChI=1S/C76H94N18O15S3/c1-42-66(100)87-55(32-43-12-4-2-5-13-43)69(103)91-59(72(106)86-54(65(79)99)31-46-22-26-50(96)27-23-46)39-111-112-40-60(92-67(101)52(77)30-45-20-24-49(95)25-21-45)75(109)93-29-11-19-61(93)73(107)88-56(33-44-14-6-3-7-15-44)70(104)90-58-38-110-41-64(98)94(37-48(85-71(58)105)16-10-28-82-76(80)81)62(34-47-36-83-53-18-9-8-17-51(47)53)74(108)89-57(35-63(78)97)68(102)84-42/h2-9,12-15,17-18,20-27,36,42,48,52,54-62,83,95-96H,10-11,16,19,28-35,37-41,77H2,1H3,(H2,78,97)(H2,79,99)(H,84,102)(H,85,105)(H,86,106)(H,87,100)(H,88,107)(H,89,108)(H,90,104)(H,91,103)(H,92,101)(H4,80,81,82)/t42-,48-,52-,54-,55-,56+,57-,58+,59-,60-,61-,62-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427687
(CHEMBL2323795)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,37.38,13.13,wD:106.114,68.110,73.94,46.49,26.28,1.0,(20.58,-54.64,;21.92,-55.4,;23.25,-54.63,;24.59,-55.39,;24.59,-56.93,;25.92,-54.61,;27.26,-55.38,;27.26,-56.92,;28.59,-57.68,;25.93,-57.69,;25.91,-53.08,;27.25,-52.3,;28.58,-53.07,;27.26,-50.74,;28.59,-49.98,;29.88,-50.83,;31.31,-50.3,;32.26,-51.51,;31.41,-52.79,;31.79,-54.27,;30.7,-55.34,;29.21,-54.93,;28.84,-53.45,;29.93,-52.37,;25.92,-49.98,;25.93,-48.45,;24.59,-47.68,;25.93,-46.92,;27.26,-47.69,;28.59,-46.93,;29.92,-47.7,;31.26,-46.94,;32.59,-47.71,;31.26,-45.39,;24.6,-46.16,;23.27,-45.38,;23.28,-43.84,;21.93,-46.14,;21.93,-47.68,;23.26,-48.44,;23.27,-49.99,;24.6,-50.76,;24.61,-52.3,;20.61,-45.37,;19.27,-46.14,;17.92,-45.35,;19.27,-47.68,;17.94,-48.45,;16.58,-47.66,;15.23,-48.45,;13.87,-47.67,;13.87,-46.09,;12.51,-45.3,;15.22,-45.31,;16.59,-46.1,;20.6,-48.45,;15.29,-50.04,;16.56,-50.8,;13.9,-50.81,;12.55,-50.03,;10.98,-50.07,;10.08,-51.36,;8.58,-50.91,;8.54,-49.34,;10.03,-48.82,;13.91,-52.35,;12.58,-53.13,;11.24,-52.36,;12.59,-54.67,;13.92,-55.43,;13.92,-56.97,;15.26,-57.74,;15.27,-59.28,;16.6,-60.04,;17.94,-59.26,;19.27,-60.03,;19.27,-61.57,;20.6,-59.25,;21.93,-60.02,;21.94,-61.56,;20.61,-62.33,;20.62,-63.87,;21.96,-64.63,;23.29,-63.85,;23.28,-62.32,;20.6,-57.72,;21.92,-56.94,;23.26,-57.71,;16.61,-61.58,;17.95,-62.35,;15.28,-62.36,;15.29,-63.89,;16.62,-64.66,;16.63,-66.2,;15.29,-66.97,;15.3,-68.51,;16.64,-69.27,;16.64,-70.81,;17.97,-68.49,;17.96,-66.96,;13.95,-64.67,;13.96,-66.21,;12.62,-63.9,;11.25,-55.44,;11.26,-56.98,;12.6,-57.75,;9.93,-57.75,;8.59,-56.99,;9.93,-59.29,;8.6,-60.07,;7.27,-59.31,;5.93,-60.08,;5.94,-61.62,;4.6,-62.39,;7.27,-62.4,;8.61,-61.62,)| Show InChI InChI=1S/C77H93IN20O15S3/c1-41-67(104)91-56(28-42-8-3-2-4-9-42)70(107)97-62(74(111)90-55(66(81)103)27-45-17-23-51(100)24-18-45)38-116-115-37-61(95-68(105)53(79)26-43-15-21-50(99)22-16-43)75(112)93-58(31-49-34-84-40-87-49)72(109)92-57(29-44-13-19-47(78)20-14-44)71(108)96-60-36-114-39-65(102)98(35-48(89-73(60)110)10-7-25-85-77(82)83)63(30-46-33-86-54-12-6-5-11-52(46)54)76(113)94-59(32-64(80)101)69(106)88-41/h2-6,8-9,11-24,33-34,40-41,48,53,55-63,86,99-100H,7,10,25-32,35-39,79H2,1H3,(H2,80,101)(H2,81,103)(H,84,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,82,83,85)/t41-,48-,53-,55-,56-,57+,58-,59-,60+,61-,62-,63-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427687
(CHEMBL2323795)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,37.38,13.13,wD:106.114,68.110,73.94,46.49,26.28,1.0,(20.58,-54.64,;21.92,-55.4,;23.25,-54.63,;24.59,-55.39,;24.59,-56.93,;25.92,-54.61,;27.26,-55.38,;27.26,-56.92,;28.59,-57.68,;25.93,-57.69,;25.91,-53.08,;27.25,-52.3,;28.58,-53.07,;27.26,-50.74,;28.59,-49.98,;29.88,-50.83,;31.31,-50.3,;32.26,-51.51,;31.41,-52.79,;31.79,-54.27,;30.7,-55.34,;29.21,-54.93,;28.84,-53.45,;29.93,-52.37,;25.92,-49.98,;25.93,-48.45,;24.59,-47.68,;25.93,-46.92,;27.26,-47.69,;28.59,-46.93,;29.92,-47.7,;31.26,-46.94,;32.59,-47.71,;31.26,-45.39,;24.6,-46.16,;23.27,-45.38,;23.28,-43.84,;21.93,-46.14,;21.93,-47.68,;23.26,-48.44,;23.27,-49.99,;24.6,-50.76,;24.61,-52.3,;20.61,-45.37,;19.27,-46.14,;17.92,-45.35,;19.27,-47.68,;17.94,-48.45,;16.58,-47.66,;15.23,-48.45,;13.87,-47.67,;13.87,-46.09,;12.51,-45.3,;15.22,-45.31,;16.59,-46.1,;20.6,-48.45,;15.29,-50.04,;16.56,-50.8,;13.9,-50.81,;12.55,-50.03,;10.98,-50.07,;10.08,-51.36,;8.58,-50.91,;8.54,-49.34,;10.03,-48.82,;13.91,-52.35,;12.58,-53.13,;11.24,-52.36,;12.59,-54.67,;13.92,-55.43,;13.92,-56.97,;15.26,-57.74,;15.27,-59.28,;16.6,-60.04,;17.94,-59.26,;19.27,-60.03,;19.27,-61.57,;20.6,-59.25,;21.93,-60.02,;21.94,-61.56,;20.61,-62.33,;20.62,-63.87,;21.96,-64.63,;23.29,-63.85,;23.28,-62.32,;20.6,-57.72,;21.92,-56.94,;23.26,-57.71,;16.61,-61.58,;17.95,-62.35,;15.28,-62.36,;15.29,-63.89,;16.62,-64.66,;16.63,-66.2,;15.29,-66.97,;15.3,-68.51,;16.64,-69.27,;16.64,-70.81,;17.97,-68.49,;17.96,-66.96,;13.95,-64.67,;13.96,-66.21,;12.62,-63.9,;11.25,-55.44,;11.26,-56.98,;12.6,-57.75,;9.93,-57.75,;8.59,-56.99,;9.93,-59.29,;8.6,-60.07,;7.27,-59.31,;5.93,-60.08,;5.94,-61.62,;4.6,-62.39,;7.27,-62.4,;8.61,-61.62,)| Show InChI InChI=1S/C77H93IN20O15S3/c1-41-67(104)91-56(28-42-8-3-2-4-9-42)70(107)97-62(74(111)90-55(66(81)103)27-45-17-23-51(100)24-18-45)38-116-115-37-61(95-68(105)53(79)26-43-15-21-50(99)22-16-43)75(112)93-58(31-49-34-84-40-87-49)72(109)92-57(29-44-13-19-47(78)20-14-44)71(108)96-60-36-114-39-65(102)98(35-48(89-73(60)110)10-7-25-85-77(82)83)63(30-46-33-86-54-12-6-5-11-52(46)54)76(113)94-59(32-64(80)101)69(106)88-41/h2-6,8-9,11-24,33-34,40-41,48,53,55-63,86,99-100H,7,10,25-32,35-39,79H2,1H3,(H2,80,101)(H2,81,103)(H,84,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,82,83,85)/t41-,48-,53-,55-,56-,57+,58-,59-,60+,61-,62-,63-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427687
(CHEMBL2323795)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,37.38,13.13,wD:106.114,68.110,73.94,46.49,26.28,1.0,(20.58,-54.64,;21.92,-55.4,;23.25,-54.63,;24.59,-55.39,;24.59,-56.93,;25.92,-54.61,;27.26,-55.38,;27.26,-56.92,;28.59,-57.68,;25.93,-57.69,;25.91,-53.08,;27.25,-52.3,;28.58,-53.07,;27.26,-50.74,;28.59,-49.98,;29.88,-50.83,;31.31,-50.3,;32.26,-51.51,;31.41,-52.79,;31.79,-54.27,;30.7,-55.34,;29.21,-54.93,;28.84,-53.45,;29.93,-52.37,;25.92,-49.98,;25.93,-48.45,;24.59,-47.68,;25.93,-46.92,;27.26,-47.69,;28.59,-46.93,;29.92,-47.7,;31.26,-46.94,;32.59,-47.71,;31.26,-45.39,;24.6,-46.16,;23.27,-45.38,;23.28,-43.84,;21.93,-46.14,;21.93,-47.68,;23.26,-48.44,;23.27,-49.99,;24.6,-50.76,;24.61,-52.3,;20.61,-45.37,;19.27,-46.14,;17.92,-45.35,;19.27,-47.68,;17.94,-48.45,;16.58,-47.66,;15.23,-48.45,;13.87,-47.67,;13.87,-46.09,;12.51,-45.3,;15.22,-45.31,;16.59,-46.1,;20.6,-48.45,;15.29,-50.04,;16.56,-50.8,;13.9,-50.81,;12.55,-50.03,;10.98,-50.07,;10.08,-51.36,;8.58,-50.91,;8.54,-49.34,;10.03,-48.82,;13.91,-52.35,;12.58,-53.13,;11.24,-52.36,;12.59,-54.67,;13.92,-55.43,;13.92,-56.97,;15.26,-57.74,;15.27,-59.28,;16.6,-60.04,;17.94,-59.26,;19.27,-60.03,;19.27,-61.57,;20.6,-59.25,;21.93,-60.02,;21.94,-61.56,;20.61,-62.33,;20.62,-63.87,;21.96,-64.63,;23.29,-63.85,;23.28,-62.32,;20.6,-57.72,;21.92,-56.94,;23.26,-57.71,;16.61,-61.58,;17.95,-62.35,;15.28,-62.36,;15.29,-63.89,;16.62,-64.66,;16.63,-66.2,;15.29,-66.97,;15.3,-68.51,;16.64,-69.27,;16.64,-70.81,;17.97,-68.49,;17.96,-66.96,;13.95,-64.67,;13.96,-66.21,;12.62,-63.9,;11.25,-55.44,;11.26,-56.98,;12.6,-57.75,;9.93,-57.75,;8.59,-56.99,;9.93,-59.29,;8.6,-60.07,;7.27,-59.31,;5.93,-60.08,;5.94,-61.62,;4.6,-62.39,;7.27,-62.4,;8.61,-61.62,)| Show InChI InChI=1S/C77H93IN20O15S3/c1-41-67(104)91-56(28-42-8-3-2-4-9-42)70(107)97-62(74(111)90-55(66(81)103)27-45-17-23-51(100)24-18-45)38-116-115-37-61(95-68(105)53(79)26-43-15-21-50(99)22-16-43)75(112)93-58(31-49-34-84-40-87-49)72(109)92-57(29-44-13-19-47(78)20-14-44)71(108)96-60-36-114-39-65(102)98(35-48(89-73(60)110)10-7-25-85-77(82)83)63(30-46-33-86-54-12-6-5-11-52(46)54)76(113)94-59(32-64(80)101)69(106)88-41/h2-6,8-9,11-24,33-34,40-41,48,53,55-63,86,99-100H,7,10,25-32,35-39,79H2,1H3,(H2,80,101)(H2,81,103)(H,84,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,82,83,85)/t41-,48-,53-,55-,56-,57+,58-,59-,60+,61-,62-,63-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.80 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427684
(CHEMBL2323799)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,26.28,1.0,(17.32,-11.76,;18.66,-12.52,;19.99,-11.75,;21.32,-12.52,;21.33,-14.06,;22.66,-11.74,;23.99,-12.51,;23.99,-14.05,;25.33,-14.81,;22.67,-14.82,;22.65,-10.2,;23.98,-9.42,;25.32,-10.19,;24,-7.87,;25.33,-7.11,;26.62,-7.96,;28.05,-7.43,;29,-8.64,;28.15,-9.92,;28.53,-11.39,;27.44,-12.46,;25.95,-12.06,;25.58,-10.57,;26.67,-9.5,;22.66,-7.11,;22.67,-5.57,;21.33,-4.81,;22.66,-4.05,;24.02,-4.84,;25.38,-4.06,;26.74,-4.86,;28.1,-4.08,;29.46,-4.87,;30.82,-4.1,;29.45,-6.45,;21.33,-3.28,;20.01,-2.51,;20.02,-.97,;18.67,-3.26,;18.67,-4.8,;20,-5.57,;20,-7.12,;21.34,-7.89,;21.34,-9.42,;17.35,-2.5,;16.01,-3.26,;14.66,-2.47,;16.01,-4.8,;14.68,-5.57,;13.32,-4.78,;11.97,-5.57,;10.61,-4.79,;10.61,-3.21,;11.96,-2.44,;13.33,-3.22,;17.34,-5.58,;12.03,-7.16,;13.3,-7.92,;10.64,-7.94,;9.29,-7.16,;7.72,-7.19,;6.82,-8.48,;5.32,-8.03,;5.28,-6.46,;6.77,-5.94,;10.65,-9.48,;9.32,-10.25,;7.98,-9.49,;9.32,-11.79,;10.66,-12.55,;10.66,-14.09,;12,-14.86,;12.01,-16.4,;13.34,-17.16,;14.68,-16.39,;16.01,-17.16,;16.01,-18.69,;17.34,-16.38,;18.67,-17.15,;18.68,-18.69,;17.35,-19.46,;17.36,-20.99,;18.69,-21.76,;20.03,-20.98,;20.02,-19.44,;17.34,-14.84,;18.66,-14.06,;20,-14.83,;13.35,-18.7,;14.69,-19.47,;12.02,-19.48,;12.02,-21.02,;13.36,-21.79,;13.37,-23.33,;12.03,-24.1,;12.04,-25.63,;13.38,-26.4,;13.38,-27.94,;14.71,-25.61,;14.7,-24.08,;10.69,-21.8,;10.7,-23.33,;9.35,-21.03,;7.99,-12.56,;8,-14.11,;9.33,-14.87,;6.66,-14.88,;5.33,-14.12,;6.67,-16.42,;5.34,-17.19,;4.01,-16.43,;2.67,-17.2,;2.68,-18.74,;1.34,-19.52,;4.01,-19.52,;5.35,-18.74,)| Show InChI InChI=1S/C78H96N20O15S3/c1-43-68(104)91-57(30-44-12-4-2-5-13-44)71(107)97-63(75(111)90-56(67(81)103)29-47-21-25-52(100)26-22-47)40-116-115-39-62(95-69(105)54(79)28-46-19-23-51(99)24-20-46)76(112)93-59(33-50-36-84-42-87-50)73(109)92-58(31-45-14-6-3-7-15-45)72(108)96-61-38-114-41-66(102)98(37-49(89-74(61)110)16-10-11-27-85-78(82)83)64(32-48-35-86-55-18-9-8-17-53(48)55)77(113)94-60(34-65(80)101)70(106)88-43/h2-9,12-15,17-26,35-36,42-43,49,54,56-64,86,99-100H,10-11,16,27-34,37-41,79H2,1H3,(H2,80,101)(H2,81,103)(H,84,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,82,83,85)/t43-,49-,54-,56-,57-,58+,59-,60-,61+,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427690
(CHEMBL2323791)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:86.92,72.77,5.5,53.57,37.38,13.13,wD:101.109,63.105,68.89,26.28,1.0,46.53,(40.41,-24.22,;41.75,-24.98,;43.08,-24.21,;44.42,-24.97,;44.43,-26.51,;45.75,-24.2,;47.09,-24.97,;47.09,-26.51,;48.43,-27.27,;45.76,-27.28,;45.74,-22.66,;47.08,-21.88,;48.42,-22.65,;47.09,-20.32,;48.42,-19.56,;49.71,-20.41,;51.15,-19.88,;52.1,-21.09,;51.25,-22.37,;51.63,-23.85,;50.53,-24.92,;49.05,-24.51,;48.68,-23.03,;49.77,-21.95,;45.75,-19.56,;45.76,-18.02,;44.42,-17.26,;45.76,-16.5,;47.1,-17.26,;48.42,-16.5,;49.76,-17.28,;51.09,-16.51,;52.43,-17.29,;51.1,-14.96,;44.43,-15.73,;43.1,-14.96,;43.11,-13.42,;41.76,-15.71,;41.75,-17.22,;43.09,-18.02,;43.1,-19.57,;44.43,-20.34,;44.44,-21.88,;40.44,-14.95,;39.07,-15.72,;37.77,-14.94,;38.98,-17.27,;40.26,-18.11,;39.85,-19.59,;38.32,-19.65,;37.79,-18.22,;35.11,-19.61,;36.39,-20.38,;33.73,-20.39,;32.37,-19.62,;32.37,-18.05,;31.09,-17.13,;31.57,-15.63,;33.14,-15.63,;33.63,-17.12,;33.73,-21.93,;32.4,-22.71,;31.06,-21.94,;32.41,-24.25,;33.74,-25.01,;33.75,-26.55,;35.08,-27.32,;35.09,-28.86,;36.43,-29.62,;37.76,-28.85,;39.1,-29.62,;39.1,-31.16,;40.43,-28.84,;41.76,-29.61,;41.77,-31.15,;40.44,-31.92,;40.45,-33.46,;41.79,-34.22,;43.12,-33.44,;43.11,-31.91,;40.43,-27.3,;41.75,-26.52,;43.09,-27.29,;36.44,-31.16,;37.77,-31.93,;35.1,-31.94,;35.11,-33.48,;36.45,-34.25,;36.46,-35.79,;35.12,-36.56,;35.12,-38.1,;36.46,-38.86,;36.47,-40.4,;37.8,-38.08,;37.79,-36.55,;33.77,-34.26,;33.78,-35.8,;32.44,-33.49,;31.07,-25.02,;31.08,-26.57,;32.42,-27.33,;29.75,-27.34,;28.41,-26.57,;29.75,-28.88,;28.42,-29.65,;27.08,-28.89,;25.75,-29.67,;25.76,-31.2,;24.42,-31.98,;27.09,-31.98,;28.43,-31.2,)| Show InChI InChI=1S/C73H92N20O15S3/c1-39-63(99)86-52(27-40-9-3-2-4-10-40)66(102)90-57(68(104)85-51(62(76)98)26-42-17-21-47(95)22-18-42)36-111-110-35-56(89-64(100)49(74)25-41-15-19-46(94)20-16-41)69(105)88-54(29-45-32-79-38-82-45)72(108)92-24-8-14-58(92)70(106)91-55-34-109-37-61(97)93(33-44(84-67(55)103)11-7-23-80-73(77)78)59(28-43-31-81-50-13-6-5-12-48(43)50)71(107)87-53(30-60(75)96)65(101)83-39/h2-6,9-10,12-13,15-22,31-32,38-39,44,49,51-59,81,94-95H,7-8,11,14,23-30,33-37,74H2,1H3,(H2,75,96)(H2,76,98)(H,79,82)(H,83,101)(H,84,103)(H,85,104)(H,86,99)(H,87,107)(H,88,105)(H,89,100)(H,90,102)(H,91,106)(H4,77,78,80)/t39-,44-,49-,51-,52-,53-,54-,55+,56-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50339348
((4R,7S,10S,13S,16S,19S,22R,25S,28R)-25-((1H-imidaz...)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:27.29,13.13,1.0,68.72,49.52,wD:38.40,5.5,64.84,59.100,82.87,97.104,(5.98,2.25,;4.65,1.48,;3.32,2.25,;3.32,3.79,;4.65,4.56,;1.99,4.56,;.65,3.79,;.65,2.25,;1.99,1.48,;-.69,1.48,;1.99,6.1,;.65,6.86,;-.69,6.1,;.65,8.41,;1.99,9.18,;3.32,8.41,;3.48,6.87,;4.98,6.56,;5.75,7.89,;7.26,8.21,;7.73,9.67,;6.71,10.82,;5.2,10.49,;4.72,9.03,;-.69,9.18,;-2.02,8.41,;-2.02,6.86,;-3.35,9.18,;-3.35,10.71,;-4.68,11.49,;-6.01,10.71,;-7.34,11.49,;-7.34,13.03,;-6.01,13.79,;-8.68,13.79,;-4.68,8.41,;-4.68,6.86,;-3.35,6.1,;-6.01,6.1,;-7.34,6.86,;-8.68,6.1,;-10.02,6.86,;-11.35,6.1,;-11.35,4.56,;-10.02,3.79,;-8.68,4.56,;-6.01,4.56,;-4.68,3.79,;-3.35,4.56,;-4.68,2.25,;-6.02,1.49,;-7.35,2.27,;-8.77,1.66,;-9.79,2.81,;-9,4.14,;-7.5,3.8,;-3.35,1.47,;-3.36,-.07,;-2.03,-.85,;-4.7,-.84,;-4.71,-2.38,;-3.38,-3.16,;-.71,-3.02,;.64,-2.26,;1.97,-3.03,;3.32,-2.31,;4.63,-3.11,;4.6,-4.65,;5.98,-2.37,;7.3,-3.16,;8.64,-2.42,;9.97,-3.22,;11.31,-2.47,;11.35,-.94,;10.03,-.14,;8.68,-.88,;5.98,-.83,;4.65,-.06,;3.32,-.83,;1.96,-4.55,;.61,-5.3,;3.27,-5.35,;3.24,-6.89,;1.89,-7.63,;1.86,-9.17,;.51,-9.91,;.47,-11.45,;1.79,-12.25,;1.76,-13.79,;3.15,-11.5,;3.17,-9.96,;4.56,-7.69,;5.91,-6.95,;4.53,-9.23,;-6.03,-.06,;-7.37,-.83,;-8.7,-.04,;-7.38,-2.37,;-8.72,-3.13,;-6.05,-3.14,;-6.05,-4.69,;-7.39,-5.45,;-7.4,-6.99,;-6.07,-7.77,;-6.08,-9.31,;-4.73,-7,;-4.72,-5.46,)| Show InChI InChI=1S/C72H87N19O14S2/c1-39-62(96)85-53(29-40-11-4-2-5-12-40)67(101)91-59(70(104)84-52(61(75)95)28-43-20-24-47(93)25-21-43)37-107-106-36-58(90-63(97)49(73)27-42-18-22-46(92)23-19-42)71(105)88-56(32-45-35-78-38-81-45)69(103)86-54(30-41-13-6-3-7-14-41)66(100)83-51(17-10-26-79-72(76)77)64(98)87-55(31-44-34-80-50-16-9-8-15-48(44)50)68(102)89-57(33-60(74)94)65(99)82-39/h2-9,11-16,18-25,34-35,38-39,49,51-59,80,92-93H,10,17,26-33,36-37,73H2,1H3,(H2,74,94)(H2,75,95)(H,78,81)(H,82,99)(H,83,100)(H,84,104)(H,85,96)(H,86,103)(H,87,98)(H,88,105)(H,89,102)(H,90,97)(H,91,101)(H4,76,77,79)/t39-,49-,51-,52-,53-,54+,55-,56-,57-,58-,59-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427682
(CHEMBL2323529)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:81.85,67.70,5.5,48.50,28.27,13.13,wD:96.102,58.98,63.82,37.38,17.17,1.0,(20.98,-56.13,;22.32,-56.89,;23.65,-56.12,;24.98,-56.88,;24.99,-58.42,;26.32,-56.11,;27.65,-56.88,;27.65,-58.41,;28.99,-59.18,;26.33,-59.18,;26.31,-54.57,;27.64,-53.79,;28.98,-54.56,;27.66,-52.23,;28.99,-51.47,;26.32,-51.47,;26.33,-49.94,;24.99,-49.18,;26.32,-48.42,;27.66,-49.18,;28.99,-48.42,;30.32,-49.19,;31.65,-48.43,;32.99,-49.2,;31.66,-46.88,;24.99,-47.65,;23.67,-46.88,;23.68,-45.34,;22.33,-47.63,;22.33,-49.17,;23.66,-49.94,;23.66,-51.49,;25,-52.25,;25,-53.79,;21.01,-46.87,;19.67,-47.63,;18.32,-46.84,;19.67,-49.17,;18.34,-49.94,;16.98,-49.15,;15.63,-49.94,;14.27,-49.16,;14.27,-47.58,;15.62,-46.81,;16.99,-47.59,;21,-49.94,;15.69,-51.53,;16.96,-52.29,;14.3,-52.31,;12.95,-51.52,;11.38,-51.56,;10.49,-52.85,;8.98,-52.4,;8.95,-50.83,;10.43,-50.31,;14.31,-53.84,;12.98,-54.62,;11.64,-53.85,;12.99,-56.16,;14.32,-56.92,;14.32,-58.46,;15.66,-59.23,;15.67,-60.77,;17,-61.53,;18.34,-60.75,;19.67,-61.52,;19.67,-63.06,;21,-60.74,;22.33,-61.51,;22.34,-63.05,;21.01,-63.82,;21.02,-65.36,;22.35,-66.12,;23.69,-65.34,;23.68,-63.81,;21,-59.21,;22.32,-58.43,;23.66,-59.2,;17.01,-63.07,;18.35,-63.84,;15.68,-63.84,;15.69,-65.38,;17.02,-66.15,;17.03,-67.69,;15.69,-68.46,;15.7,-70,;17.04,-70.76,;17.04,-72.3,;18.37,-69.98,;18.36,-68.45,;14.35,-66.16,;14.36,-67.7,;13.02,-65.39,;11.65,-56.93,;11.66,-58.48,;13,-59.24,;10.33,-59.24,;8.99,-58.48,;10.34,-60.78,;9,-61.56,;7.67,-60.8,;6.34,-61.57,;6.34,-63.11,;5,-63.88,;7.67,-63.89,;9.01,-63.11,)| Show InChI InChI=1S/C69H89N19O15S3/c1-37-59(94)81-49(26-39-10-5-3-6-11-39)63(98)87-55(67(102)80-48(58(72)93)25-42-17-21-46(90)22-18-42)34-106-105-33-54(85-61(96)47(70)24-41-15-19-45(89)20-16-41)68(103)84-51(28-44-30-75-36-77-44)65(100)83-50(27-40-12-7-4-8-13-40)64(99)86-53-32-104-35-57(92)88(31-43(79-66(53)101)14-9-23-76-69(73)74)38(2)60(95)82-52(29-56(71)91)62(97)78-37/h3-8,10-13,15-22,30,36-38,43,47-55,89-90H,9,14,23-29,31-35,70H2,1-2H3,(H2,71,91)(H2,72,93)(H,75,77)(H,78,97)(H,79,101)(H,80,102)(H,81,94)(H,82,95)(H,83,100)(H,84,103)(H,85,96)(H,86,99)(H,87,98)(H4,73,74,76)/t37-,38-,43-,47-,48-,49-,50+,51-,52-,53+,54-,55-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427683
(CHEMBL2323800)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)[C@]23CCCN2C(=O)[C@@H](CSCC3=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C75H86N16O15S3/c1-41-65(97)84-55(29-42-11-4-2-5-12-42)69(101)89-60(72(104)83-54(64(78)96)28-45-19-23-49(93)24-20-45)38-109-108-37-59(88-67(99)52(76)27-44-17-21-48(92)22-18-44)73(105)87-57(32-47-35-79-40-81-47)71(103)86-56(30-43-13-6-3-7-14-43)70(102)90-61-36-107-39-62(94)75(25-10-26-91(75)74(61)106)51(31-46-34-80-53-16-9-8-15-50(46)53)66(98)85-58(33-63(77)95)68(100)82-41/h2-9,11-24,34-35,40-41,51-52,54-61,80,92-93H,10,25-33,36-39,76H2,1H3,(H2,77,95)(H2,78,96)(H,79,81)(H,82,100)(H,83,104)(H,84,97)(H,85,98)(H,86,103)(H,87,105)(H,88,99)(H,89,101)(H,90,102)/t41-,51+,52-,54-,55-,56+,57-,58-,59-,60-,61+,75-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427685
(CHEMBL2323798)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C77H94N18O15S3/c1-43-68(101)88-57(30-44-12-4-2-5-13-44)71(104)94-63(75(108)87-56(67(81)100)29-47-21-25-52(97)26-22-47)40-113-112-39-62(92-69(102)54(79)28-46-19-23-51(96)24-20-46)76(109)90-59(33-50-36-82-42-84-50)73(106)89-58(31-45-14-6-3-7-15-45)72(105)93-61-38-111-41-66(99)95(37-49(86-74(61)107)16-10-11-27-78)64(32-48-35-83-55-18-9-8-17-53(48)55)77(110)91-60(34-65(80)98)70(103)85-43/h2-9,12-15,17-26,35-36,42-43,49,54,56-64,83,96-97H,10-11,16,27-34,37-41,78-79H2,1H3,(H2,80,98)(H2,81,100)(H,82,84)(H,85,103)(H,86,107)(H,87,108)(H,88,101)(H,89,106)(H,90,109)(H,91,110)(H,92,102)(H,93,105)(H,94,104)/t43-,49-,54-,56-,57-,58+,59-,60-,61+,62-,63-,64-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427686
(CHEMBL2323797)Show SMILES C[C@H]1CN2[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CSCC2=O)C(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C74H87N17O15S3/c1-40-34-91-61(29-46-32-79-52-16-10-9-15-50(46)52)74(106)87-57(31-62(76)94)67(99)82-41(2)65(97)84-54(27-42-11-5-3-6-12-42)68(100)90-60(72(104)83-53(64(77)96)26-45-19-23-49(93)24-20-45)37-109-108-36-59(88-66(98)51(75)25-44-17-21-48(92)22-18-44)73(105)86-56(30-47-33-78-39-80-47)70(102)85-55(28-43-13-7-4-8-14-43)69(101)89-58(71(103)81-40)35-107-38-63(91)95/h3-24,32-33,39-41,51,53-61,79,92-93H,25-31,34-38,75H2,1-2H3,(H2,76,94)(H2,77,96)(H,78,80)(H,81,103)(H,82,99)(H,83,104)(H,84,97)(H,85,102)(H,86,105)(H,87,106)(H,88,98)(H,89,101)(H,90,100)/t40-,41-,51-,53-,54-,55+,56-,57-,58+,59-,60-,61-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427693
(CHEMBL2323796)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:96.103,82.88,5.5,63.68,37.38,13.13,wD:111.120,73.116,78.100,46.49,26.28,1.0,(24.22,-12.49,;25.56,-13.25,;26.88,-12.48,;28.22,-13.24,;28.23,-14.78,;29.55,-12.46,;30.89,-13.23,;30.89,-14.77,;32.23,-15.53,;29.56,-15.54,;29.55,-10.93,;30.88,-10.15,;32.21,-10.92,;30.9,-8.59,;32.22,-7.83,;33.51,-8.68,;34.95,-8.15,;35.9,-9.36,;35.04,-10.64,;35.42,-12.12,;34.33,-13.19,;32.85,-12.78,;32.48,-11.3,;33.56,-10.22,;29.55,-7.83,;29.56,-6.3,;28.22,-5.53,;29.56,-4.77,;30.9,-5.54,;32.22,-4.78,;33.56,-5.55,;34.89,-4.79,;36.23,-5.56,;34.9,-3.24,;28.23,-4.01,;26.91,-3.23,;26.92,-1.7,;25.56,-3.99,;25.57,-5.53,;26.9,-6.29,;26.9,-7.84,;28.24,-8.61,;28.24,-10.15,;24.25,-3.23,;22.91,-3.99,;21.55,-3.2,;22.91,-5.53,;21.57,-6.3,;20.22,-5.51,;18.87,-6.3,;17.51,-5.52,;17.5,-3.94,;18.86,-3.16,;20.23,-3.95,;16.14,-3.15,;16.15,-1.58,;14.79,-.79,;13.43,-1.57,;13.43,-3.15,;14.79,-3.93,;24.24,-6.3,;18.93,-7.89,;20.2,-8.65,;17.54,-8.66,;16.19,-7.88,;14.62,-7.92,;13.72,-9.21,;12.22,-8.76,;12.18,-7.19,;13.66,-6.67,;17.55,-10.2,;16.21,-10.98,;14.88,-10.21,;16.22,-12.52,;17.56,-13.28,;17.56,-14.82,;18.89,-15.59,;18.9,-17.13,;20.24,-17.89,;21.57,-17.11,;22.91,-17.88,;22.91,-19.42,;24.23,-17.1,;25.57,-17.87,;25.58,-19.41,;24.25,-20.18,;24.25,-21.72,;25.59,-22.48,;26.92,-21.7,;26.91,-20.17,;24.23,-15.56,;25.56,-14.79,;26.89,-15.56,;20.25,-19.43,;21.58,-20.2,;18.91,-20.2,;18.92,-21.74,;20.26,-22.51,;20.27,-24.05,;18.93,-24.82,;18.94,-26.36,;20.27,-27.12,;20.28,-28.66,;21.61,-26.34,;21.6,-24.81,;17.59,-22.52,;17.6,-24.06,;16.25,-21.75,;14.89,-13.29,;14.9,-14.83,;16.23,-15.59,;13.56,-15.6,;12.23,-14.84,;13.57,-17.14,;12.24,-17.92,;10.9,-17.16,;9.57,-17.93,;9.58,-19.47,;8.24,-20.24,;10.91,-20.24,;12.25,-19.46,)| Show InChI InChI=1S/C83H98N20O15S3/c1-46-73(109)96-62(33-47-11-4-2-5-12-47)76(112)102-68(80(116)95-61(72(86)108)32-50-22-28-57(105)29-23-50)43-121-120-42-67(100-74(110)59(84)31-48-20-26-56(104)27-21-48)81(117)98-64(36-55-39-89-45-92-55)78(114)97-63(34-49-18-24-52(25-19-49)51-13-6-3-7-14-51)77(113)101-66-41-119-44-71(107)103(40-54(94-79(66)115)15-10-30-90-83(87)88)69(35-53-38-91-60-17-9-8-16-58(53)60)82(118)99-65(37-70(85)106)75(111)93-46/h2-9,11-14,16-29,38-39,45-46,54,59,61-69,91,104-105H,10,15,30-37,40-44,84H2,1H3,(H2,85,106)(H2,86,108)(H,89,92)(H,93,111)(H,94,115)(H,95,116)(H,96,109)(H,97,114)(H,98,117)(H,99,118)(H,100,110)(H,101,113)(H,102,112)(H4,87,88,90)/t46-,54-,59-,61-,62-,63+,64-,65-,66+,67-,68-,69-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427683
(CHEMBL2323800)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)[C@]23CCCN2C(=O)[C@@H](CSCC3=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C75H86N16O15S3/c1-41-65(97)84-55(29-42-11-4-2-5-12-42)69(101)89-60(72(104)83-54(64(78)96)28-45-19-23-49(93)24-20-45)38-109-108-37-59(88-67(99)52(76)27-44-17-21-48(92)22-18-44)73(105)87-57(32-47-35-79-40-81-47)71(103)86-56(30-43-13-6-3-7-14-43)70(102)90-61-36-107-39-62(94)75(25-10-26-91(75)74(61)106)51(31-46-34-80-53-16-9-8-15-50(46)53)66(98)85-58(33-63(77)95)68(100)82-41/h2-9,11-24,34-35,40-41,51-52,54-61,80,92-93H,10,25-33,36-39,76H2,1H3,(H2,77,95)(H2,78,96)(H,79,81)(H,82,100)(H,83,104)(H,84,97)(H,85,98)(H,86,103)(H,87,105)(H,88,99)(H,89,101)(H,90,102)/t41-,51+,52-,54-,55-,56+,57-,58-,59-,60-,61+,75-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 630 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427694
(CHEMBL2323794)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:94.101,80.86,5.5,61.66,37.38,13.13,wD:109.118,71.114,76.98,46.49,26.28,1.0,(34.6,-27.15,;35.95,-27.92,;37.27,-27.15,;38.61,-27.91,;38.62,-29.45,;39.94,-27.13,;41.28,-27.9,;41.28,-29.44,;42.61,-30.2,;39.95,-30.21,;39.93,-25.59,;41.27,-24.82,;42.6,-25.58,;41.28,-23.26,;42.61,-22.5,;43.9,-23.35,;45.33,-22.82,;46.28,-24.03,;45.43,-25.31,;45.81,-26.78,;44.72,-27.85,;43.24,-27.45,;42.86,-25.96,;43.95,-24.89,;39.94,-22.5,;39.95,-20.97,;38.61,-20.2,;39.95,-19.44,;41.28,-20.21,;42.61,-19.44,;43.95,-20.22,;45.28,-19.45,;46.61,-20.23,;45.29,-17.91,;38.62,-18.68,;37.29,-17.9,;37.3,-16.36,;35.95,-18.66,;35.95,-20.2,;37.29,-20.96,;37.29,-22.51,;38.62,-23.28,;38.63,-24.82,;34.63,-17.89,;33.3,-18.65,;31.94,-17.87,;33.3,-20.19,;31.96,-20.96,;30.6,-20.18,;29.25,-20.96,;27.9,-20.19,;27.89,-18.61,;26.54,-17.83,;26.54,-16.27,;27.9,-15.48,;29.25,-16.27,;29.25,-17.83,;30.61,-18.62,;34.62,-20.97,;29.31,-22.55,;30.59,-23.32,;27.93,-23.33,;26.58,-22.55,;25.01,-22.58,;24.11,-23.88,;22.61,-23.42,;22.57,-21.85,;24.05,-21.34,;27.94,-24.87,;26.6,-25.65,;25.27,-24.88,;26.61,-27.18,;27.95,-27.95,;27.95,-29.48,;29.28,-30.25,;29.29,-31.79,;30.63,-32.55,;31.96,-31.78,;33.3,-32.55,;33.3,-34.08,;34.62,-31.77,;35.96,-32.54,;35.97,-34.08,;34.63,-34.85,;34.64,-36.38,;35.98,-37.15,;37.31,-36.37,;37.3,-34.83,;34.62,-30.23,;35.95,-29.45,;37.28,-30.22,;30.64,-34.09,;31.97,-34.86,;29.3,-34.87,;29.31,-36.41,;30.65,-37.18,;30.65,-38.72,;29.32,-39.49,;29.32,-41.02,;30.66,-41.79,;30.66,-43.32,;31.99,-41,;31.98,-39.47,;27.98,-37.18,;27.99,-38.72,;26.64,-36.42,;25.28,-27.95,;25.29,-29.5,;26.62,-30.26,;23.95,-30.27,;22.62,-29.51,;23.96,-31.81,;22.63,-32.58,;21.29,-31.82,;19.96,-32.59,;19.97,-34.13,;18.63,-34.91,;21.3,-34.91,;22.63,-34.13,)| Show InChI InChI=1S/C81H96N20O15S3/c1-44-71(107)94-60(31-45-10-3-2-4-11-45)74(110)100-66(78(114)93-59(70(84)106)30-47-20-25-55(103)26-21-47)41-119-118-40-65(98-72(108)57(82)29-46-18-23-54(102)24-19-46)79(115)96-62(34-53-37-87-43-90-53)76(112)95-61(32-48-17-22-49-12-5-6-13-50(49)28-48)75(111)99-64-39-117-42-69(105)101(38-52(92-77(64)113)14-9-27-88-81(85)86)67(33-51-36-89-58-16-8-7-15-56(51)58)80(116)97-63(35-68(83)104)73(109)91-44/h2-8,10-13,15-26,28,36-37,43-44,52,57,59-67,89,102-103H,9,14,27,29-35,38-42,82H2,1H3,(H2,83,104)(H2,84,106)(H,87,90)(H,91,109)(H,92,113)(H,93,114)(H,94,107)(H,95,112)(H,96,115)(H,97,116)(H,98,108)(H,99,111)(H,100,110)(H4,85,86,88)/t44-,52-,57-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427678
(CHEMBL2323788)Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:85.90,14.14,30.31,1.0,62.64,38.39,wD:100.107,5.103,10.87,71.75,51.54,25.26,(29.25,-18.72,;30.6,-19.49,;30.61,-21.03,;29.27,-21.81,;27.94,-21.04,;29.28,-23.35,;30.62,-24.11,;30.62,-25.65,;31.96,-26.42,;31.97,-27.96,;33.3,-28.73,;34.64,-27.95,;35.97,-28.72,;35.98,-30.26,;37.3,-27.94,;38.64,-28.71,;38.65,-30.25,;37.31,-31.02,;37.32,-32.56,;38.66,-33.33,;39.99,-32.54,;39.98,-31.01,;37.3,-26.4,;38.63,-25.62,;39.96,-26.39,;38.63,-24.08,;37.28,-23.32,;39.96,-23.31,;41.29,-24.08,;41.3,-25.62,;42.63,-23.3,;43.96,-24.07,;43.96,-25.61,;45.3,-26.37,;42.64,-26.38,;42.62,-21.76,;43.95,-20.98,;45.29,-21.75,;43.97,-19.42,;45.3,-18.66,;46.59,-19.51,;48.02,-18.98,;48.98,-20.19,;48.12,-21.48,;48.5,-22.95,;47.41,-24.02,;45.92,-23.62,;45.55,-22.13,;46.64,-21.06,;42.63,-18.66,;42.64,-17.13,;41.3,-16.36,;42.63,-15.6,;43.97,-16.37,;45.3,-15.6,;46.63,-16.38,;47.97,-15.61,;49.31,-16.39,;47.98,-14.07,;41.3,-14.84,;39.98,-14.06,;39.99,-12.52,;38.63,-14.82,;38.63,-16.36,;39.97,-17.12,;39.97,-18.67,;41.31,-19.44,;41.31,-20.98,;37.31,-14.05,;35.98,-14.81,;34.65,-14.04,;35.98,-16.35,;34.64,-17.12,;33.3,-16.35,;33.31,-14.81,;31.99,-14.03,;30.64,-14.8,;30.65,-16.35,;31.98,-17.12,;37.3,-17.13,;31.99,-18.72,;33.26,-19.48,;33.31,-30.27,;34.65,-31.04,;31.98,-31.04,;31.98,-32.58,;33.32,-33.35,;33.33,-34.89,;31.99,-35.67,;32,-37.2,;33.34,-37.97,;33.34,-39.51,;34.67,-37.19,;34.66,-35.65,;30.65,-33.36,;30.66,-34.9,;29.31,-32.59,;27.95,-24.12,;27.96,-25.67,;29.29,-26.43,;26.62,-26.44,;25.28,-25.68,;26.63,-27.98,;25.29,-28.76,;23.96,-28,;22.63,-28.77,;22.63,-30.31,;21.29,-31.08,;23.96,-31.09,;25.3,-30.31,)| Show InChI InChI=1S/C74H92N18O15S3/c1-40-64(98)87-55(31-43-14-7-4-8-15-43)69(103)91-59(72(106)85-53(63(77)97)29-45-21-25-49(94)26-22-45)38-110-109-37-58(89-66(100)51(75)28-44-19-23-48(93)24-20-44)70(104)83-41(2)65(99)86-54(30-42-12-5-3-6-13-42)68(102)90-57-36-108-39-62(96)92(35-47(84-71(57)105)16-11-27-80-74(78)79)60(32-46-34-81-52-18-10-9-17-50(46)52)73(107)88-56(33-61(76)95)67(101)82-40/h3-10,12-15,17-26,34,40-41,47,51,53-60,81,93-94H,11,16,27-33,35-39,75H2,1-2H3,(H2,76,95)(H2,77,97)(H,82,101)(H,83,104)(H,84,105)(H,85,106)(H,86,99)(H,87,98)(H,88,107)(H,89,100)(H,90,102)(H,91,103)(H4,78,79,80)/t40-,41-,47-,51-,53-,54+,55-,56-,57+,58-,59-,60-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 690 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427680
(CHEMBL2323786)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,wD:106.114,68.110,73.94,47.50,27.29,13.13,1.0,(34.2,-28.89,;35.54,-29.65,;36.87,-28.88,;38.2,-29.64,;38.21,-31.18,;39.54,-28.86,;40.87,-29.63,;40.87,-31.17,;42.21,-31.93,;39.55,-31.94,;39.53,-27.33,;40.86,-26.55,;42.2,-27.32,;40.88,-25,;42.2,-24.23,;43.56,-25.02,;43.55,-26.59,;44.9,-27.38,;46.26,-26.59,;47.62,-27.38,;48.98,-26.59,;48.98,-25.01,;47.62,-24.23,;46.26,-25.02,;44.91,-24.24,;39.54,-24.23,;39.54,-22.7,;38.21,-21.94,;39.54,-21.18,;40.88,-21.94,;42.2,-21.18,;43.54,-21.96,;44.87,-21.19,;46.2,-21.97,;44.88,-19.65,;38.21,-20.42,;36.89,-19.64,;36.9,-18.1,;35.55,-20.4,;35.55,-21.93,;36.88,-22.7,;36.88,-24.25,;38.22,-25.01,;38.22,-26.55,;34.23,-19.63,;32.9,-20.39,;31.54,-19.61,;32.9,-21.93,;31.56,-22.7,;30.2,-21.92,;28.86,-22.7,;27.5,-21.92,;27.49,-20.35,;28.85,-19.57,;30.22,-20.36,;34.22,-22.71,;28.92,-24.29,;30.19,-25.05,;27.53,-25.07,;26.18,-24.28,;24.61,-24.32,;23.71,-25.61,;22.21,-25.16,;22.18,-23.59,;23.66,-23.07,;27.54,-26.6,;26.21,-27.38,;24.87,-26.61,;26.21,-28.92,;27.55,-29.68,;27.55,-31.22,;28.88,-31.99,;28.89,-33.52,;30.23,-34.28,;31.56,-33.51,;32.89,-34.28,;32.9,-35.81,;34.22,-33.5,;35.55,-34.27,;35.56,-35.81,;34.23,-36.58,;34.24,-38.11,;35.58,-38.88,;36.91,-38.09,;36.9,-36.56,;34.22,-31.96,;35.54,-31.19,;36.88,-31.95,;30.24,-35.82,;31.57,-36.59,;28.9,-36.6,;28.91,-38.14,;30.25,-38.9,;30.26,-40.44,;28.92,-41.21,;28.93,-42.75,;30.26,-43.51,;30.27,-45.05,;31.59,-42.73,;31.58,-41.2,;27.58,-38.91,;27.59,-40.45,;26.24,-38.14,;24.88,-29.69,;24.89,-31.23,;26.22,-31.99,;23.56,-32,;22.22,-31.24,;23.57,-33.54,;22.23,-34.31,;20.9,-33.56,;19.57,-34.33,;19.57,-35.86,;18.24,-36.64,;20.9,-36.64,;22.24,-35.86,)| Show InChI InChI=1S/C79H95N19O15S3/c1-44-69(104)91-58(32-45-11-4-2-5-12-45)72(107)97-64(76(111)90-57(68(82)103)31-48-21-26-55(100)27-22-48)41-116-115-40-63(95-70(105)56(80)30-47-19-24-54(99)25-20-47)77(112)93-60(35-53-37-85-43-87-53)74(109)92-59(33-46-13-6-3-7-14-46)73(108)96-62-39-114-42-67(102)98(38-52(89-75(62)110)17-10-28-86-79(83)84)65(78(113)94-61(36-66(81)101)71(106)88-44)34-49-18-23-50-15-8-9-16-51(50)29-49/h2-9,11-16,18-27,29,37,43-44,52,56-65,99-100H,10,17,28,30-36,38-42,80H2,1H3,(H2,81,101)(H2,82,103)(H,85,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,83,84,86)/t44-,52-,56-,57-,58-,59+,60-,61-,62+,63-,64-,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427681
(CHEMBL2323785)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,27.29,1.0,(18.43,-11.75,;19.77,-12.51,;21.1,-11.75,;22.43,-12.51,;22.44,-14.04,;23.77,-11.73,;25.1,-12.5,;25.1,-14.04,;26.44,-14.8,;23.78,-14.81,;23.76,-10.19,;25.09,-9.42,;26.42,-10.19,;25.11,-7.86,;26.43,-7.1,;27.79,-7.89,;27.78,-9.46,;29.13,-10.24,;30.49,-9.46,;31.85,-10.24,;33.21,-9.46,;33.21,-7.88,;31.85,-7.1,;30.49,-7.88,;29.14,-7.1,;23.76,-7.1,;23.77,-5.57,;22.44,-4.8,;23.77,-4.04,;25.11,-4.81,;26.43,-4.05,;27.77,-4.82,;29.1,-4.06,;30.43,-4.83,;29.11,-2.51,;22.44,-3.28,;21.12,-2.51,;21.13,-.97,;19.78,-3.26,;19.78,-4.8,;21.11,-5.57,;21.11,-7.11,;22.45,-7.88,;22.45,-9.42,;18.46,-2.5,;17.13,-3.26,;15.77,-2.47,;17.13,-4.8,;15.79,-5.57,;14.43,-4.78,;13.09,-5.57,;11.73,-4.79,;11.72,-3.21,;13.08,-2.44,;14.44,-3.22,;18.45,-5.57,;13.14,-7.16,;14.42,-7.92,;11.76,-7.93,;10.41,-7.15,;8.84,-7.19,;7.94,-8.48,;6.44,-8.03,;6.41,-6.46,;7.89,-5.94,;11.77,-9.47,;10.43,-10.25,;9.1,-9.48,;10.44,-11.78,;11.78,-12.55,;11.78,-14.08,;13.11,-14.85,;13.12,-16.39,;14.46,-17.15,;15.79,-16.37,;17.12,-17.14,;17.13,-18.68,;18.45,-16.37,;19.78,-17.13,;19.79,-18.67,;18.46,-19.44,;18.47,-20.98,;19.81,-21.74,;21.14,-20.96,;21.13,-19.43,;18.45,-14.83,;19.77,-14.05,;21.11,-14.82,;14.47,-18.69,;15.8,-19.46,;13.13,-19.46,;13.14,-21,;14.48,-21.77,;14.48,-23.31,;13.15,-24.08,;13.15,-25.61,;14.49,-26.38,;14.5,-27.91,;15.82,-25.59,;15.81,-24.06,;11.81,-21.78,;11.82,-23.32,;10.47,-21.01,;9.11,-12.55,;9.12,-14.1,;10.45,-14.86,;7.79,-14.87,;6.45,-14.11,;7.8,-16.4,;6.46,-17.18,;5.13,-16.42,;3.8,-17.19,;3.8,-18.73,;2.46,-19.5,;5.13,-19.51,;6.47,-18.73,)| Show InChI InChI=1S/C79H95N19O15S3/c1-44-69(104)91-58(32-45-11-4-2-5-12-45)72(107)97-64(76(111)90-57(68(82)103)31-48-21-26-55(100)27-22-48)41-116-115-40-63(95-70(105)56(80)30-47-19-24-54(99)25-20-47)77(112)93-60(35-53-37-85-43-87-53)74(109)92-59(33-46-13-6-3-7-14-46)73(108)96-62-39-114-42-67(102)98(38-52(89-75(62)110)17-10-28-86-79(83)84)65(78(113)94-61(36-66(81)101)71(106)88-44)34-49-18-23-50-15-8-9-16-51(50)29-49/h2-9,11-16,18-27,29,37,43-44,52,56-65,99-100H,10,17,28,30-36,38-42,80H2,1H3,(H2,81,101)(H2,82,103)(H,85,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,83,84,86)/t44-,52-,56-,57-,58-,59+,60-,61-,62+,63-,64-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427685
(CHEMBL2323798)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C77H94N18O15S3/c1-43-68(101)88-57(30-44-12-4-2-5-13-44)71(104)94-63(75(108)87-56(67(81)100)29-47-21-25-52(97)26-22-47)40-113-112-39-62(92-69(102)54(79)28-46-19-23-51(96)24-20-46)76(109)90-59(33-50-36-82-42-84-50)73(106)89-58(31-45-14-6-3-7-15-45)72(105)93-61-38-111-41-66(99)95(37-49(86-74(61)107)16-10-11-27-78)64(32-48-35-83-55-18-9-8-17-53(48)55)77(110)91-60(34-65(80)98)70(103)85-43/h2-9,12-15,17-26,35-36,42-43,49,54,56-64,83,96-97H,10-11,16,27-34,37-41,78-79H2,1H3,(H2,80,98)(H2,81,100)(H,82,84)(H,85,103)(H,86,107)(H,87,108)(H,88,101)(H,89,106)(H,90,109)(H,91,110)(H,92,102)(H,93,105)(H,94,104)/t43-,49-,54-,56-,57-,58+,59-,60-,61+,62-,63-,64-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427686
(CHEMBL2323797)Show SMILES C[C@H]1CN2[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CSCC2=O)C(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C74H87N17O15S3/c1-40-34-91-61(29-46-32-79-52-16-10-9-15-50(46)52)74(106)87-57(31-62(76)94)67(99)82-41(2)65(97)84-54(27-42-11-5-3-6-12-42)68(100)90-60(72(104)83-53(64(77)96)26-45-19-23-49(93)24-20-45)37-109-108-36-59(88-66(98)51(75)25-44-17-21-48(92)22-18-44)73(105)86-56(30-47-33-78-39-80-47)70(102)85-55(28-43-13-7-4-8-14-43)69(101)89-58(71(103)81-40)35-107-38-63(91)95/h3-24,32-33,39-41,51,53-61,79,92-93H,25-31,34-38,75H2,1-2H3,(H2,76,94)(H2,77,96)(H,78,80)(H,81,103)(H,82,99)(H,83,104)(H,84,97)(H,85,102)(H,86,105)(H,87,106)(H,88,98)(H,89,101)(H,90,100)/t40-,41-,51-,53-,54-,55+,56-,57-,58+,59-,60-,61-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427689
(CHEMBL2323792)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:84.89,70.74,5.5,51.54,37.38,46.49,13.13,wD:99.106,61.102,66.86,26.28,1.0,(17.51,-48.64,;18.85,-49.41,;20.18,-48.64,;21.52,-49.4,;21.52,-50.94,;22.85,-48.62,;24.19,-49.39,;24.19,-50.93,;25.52,-51.69,;22.86,-51.7,;22.84,-47.08,;24.18,-46.3,;25.51,-47.07,;24.19,-44.75,;25.52,-43.98,;26.81,-44.84,;28.25,-44.31,;29.2,-45.52,;28.34,-46.8,;28.73,-48.27,;27.63,-49.34,;26.15,-48.94,;25.77,-47.45,;26.86,-46.38,;22.85,-43.98,;22.86,-42.45,;21.52,-41.68,;22.86,-40.92,;24.19,-41.69,;25.52,-40.93,;26.86,-41.7,;28.19,-40.94,;29.53,-41.71,;28.2,-39.39,;21.53,-40.16,;20.2,-39.38,;20.21,-37.84,;18.86,-40.14,;18.86,-41.68,;20.19,-42.45,;20.19,-44,;21.53,-44.76,;21.54,-46.3,;17.54,-39.37,;16.2,-40.14,;14.87,-39.37,;16.2,-41.68,;14.86,-42.45,;17.53,-42.45,;12.21,-44.04,;13.49,-44.8,;10.82,-44.82,;9.47,-44.04,;9.47,-42.47,;8.19,-41.55,;8.67,-40.05,;10.24,-40.05,;10.73,-41.54,;10.83,-46.36,;9.5,-47.13,;8.16,-46.36,;9.51,-48.67,;10.84,-49.44,;10.84,-50.98,;12.18,-51.75,;12.19,-53.29,;13.53,-54.05,;14.86,-53.27,;16.2,-54.04,;16.2,-55.58,;17.53,-53.26,;18.86,-54.03,;18.87,-55.57,;17.54,-56.35,;17.55,-57.88,;18.88,-58.65,;20.22,-57.87,;20.21,-56.33,;17.52,-51.72,;18.85,-50.95,;20.19,-51.72,;13.53,-55.59,;14.87,-56.36,;12.2,-56.37,;12.21,-57.91,;13.54,-58.68,;13.55,-60.22,;12.21,-60.99,;12.22,-62.53,;13.56,-63.29,;13.56,-64.83,;14.89,-62.51,;14.88,-60.97,;10.87,-58.68,;10.88,-60.22,;9.54,-57.91,;8.17,-49.44,;8.18,-50.99,;9.52,-51.75,;6.84,-51.76,;5.51,-51,;6.85,-53.3,;5.52,-54.08,;4.18,-53.32,;2.85,-54.09,;2.86,-55.63,;1.51,-56.41,;4.19,-56.41,;5.53,-55.63,)| Show InChI InChI=1S/C71H90N20O15S3/c1-37-61(97)85-51(25-39-9-4-3-5-10-39)66(102)90-56(68(104)84-50(60(74)96)24-41-16-20-46(93)21-17-41)34-109-108-33-55(89-63(99)48(72)23-40-14-18-45(92)19-15-40)69(105)86-52(27-44-30-77-36-80-44)64(100)81-38(2)62(98)88-54-32-107-35-59(95)91(31-43(83-67(54)103)11-8-22-78-71(75)76)57(26-42-29-79-49-13-7-6-12-47(42)49)70(106)87-53(28-58(73)94)65(101)82-37/h3-7,9-10,12-21,29-30,36-38,43,48,50-57,79,92-93H,8,11,22-28,31-35,72H2,1-2H3,(H2,73,94)(H2,74,96)(H,77,80)(H,81,100)(H,82,101)(H,83,103)(H,84,104)(H,85,97)(H,86,105)(H,87,106)(H,88,98)(H,89,99)(H,90,102)(H4,75,76,78)/t37-,38-,43-,48-,50-,51-,52-,53-,54+,55-,56-,57-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.01E+4 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50339347
((S)-cis-(2S,5S,8S,11S,14R,19R,22S,25R,28S,31S)-22-...)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:1.0,37.38,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,26.28,90.96,105.113,(15.52,-30.42,;16.84,-29.65,;18.15,-30.42,;18.16,-31.93,;16.84,-32.7,;19.48,-32.7,;20.79,-31.94,;20.79,-30.41,;19.47,-29.65,;22.11,-29.64,;19.49,-34.23,;20.81,-34.97,;22.13,-34.2,;20.82,-36.51,;22.33,-36.74,;22.88,-38.16,;22.06,-39.45,;23.03,-40.63,;24.45,-40.08,;25.81,-40.76,;27.09,-39.93,;26.99,-38.4,;25.64,-37.72,;24.36,-38.55,;19.51,-37.28,;18.15,-36.56,;16.86,-37.39,;16.79,-35.85,;15.42,-35.09,;15.4,-33.53,;14.04,-32.76,;12.69,-33.55,;11.33,-32.79,;12.71,-35.12,;15.51,-36.68,;14.22,-37.5,;12.87,-36.8,;14.3,-39.04,;15.65,-39.74,;16.93,-38.91,;18.27,-39.62,;19.57,-38.81,;20.95,-39.55,;13.01,-39.86,;11.62,-39.15,;11.54,-37.59,;10.29,-39.98,;10.26,-41.55,;11.63,-42.31,;11.65,-43.87,;13.01,-44.64,;14.35,-43.84,;14.33,-42.26,;12.96,-41.51,;8.9,-39.25,;7.6,-40.13,;7.65,-41.7,;6.28,-39.33,;5.04,-40.22,;5.02,-41.75,;3.78,-42.63,;4.23,-44.09,;5.75,-44.1,;6.24,-42.65,;6.3,-37.8,;4.99,-37.01,;3.65,-37.75,;5.02,-35.46,;6.41,-34.73,;6.47,-33.17,;14.32,-29.68,;14.29,-28.11,;12.92,-27.35,;12.89,-25.82,;14.2,-25.03,;14.21,-23.47,;15.5,-25.84,;16.81,-25.04,;16.77,-23.52,;15.43,-22.79,;15.39,-21.27,;16.7,-20.47,;18.04,-21.2,;18.07,-22.72,;15.51,-27.37,;16.83,-28.11,;18.11,-27.29,;11.58,-28.17,;11.61,-29.73,;10.21,-27.41,;8.86,-28.21,;7.5,-27.46,;7.46,-25.89,;8.81,-25.09,;8.78,-23.52,;7.41,-22.76,;7.38,-21.2,;6.06,-23.58,;6.1,-25.14,;8.89,-29.78,;10.26,-30.53,;7.56,-30.59,;3.69,-34.64,;3.74,-33.07,;5.11,-32.33,;2.41,-32.25,;2.45,-30.69,;1.02,-33,;-.31,-32.17,;-.25,-30.61,;-1.58,-29.79,;-2.96,-30.52,;-4.3,-29.71,;-3,-32.1,;-1.67,-32.92,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(29-43-11-4-2-5-12-43)70(106)96-62(74(110)89-55(66(80)102)28-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)27-45-18-22-50(98)23-19-45)75(111)92-58(32-49-35-83-41-86-49)72(108)91-57(30-44-13-6-3-7-14-44)71(107)95-60-37-113-40-65(101)97(36-48(88-73(60)109)15-10-26-84-77(81)82)63(31-47-34-85-54-17-9-8-16-52(47)54)76(112)93-59(33-64(79)100)69(105)87-42/h2-9,11-14,16-25,34-35,41-42,48,53,55-63,85,98-99H,10,15,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,108)(H,92,111)(H,93,112)(H,94,104)(H,95,107)(H,96,106)(H4,81,82,84)/t42-,48-,53-,55-,56-,57+,58-,59-,60+,61-,62-,63-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427682
(CHEMBL2323529)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:81.85,67.70,5.5,48.50,28.27,13.13,wD:96.102,58.98,63.82,37.38,17.17,1.0,(20.98,-56.13,;22.32,-56.89,;23.65,-56.12,;24.98,-56.88,;24.99,-58.42,;26.32,-56.11,;27.65,-56.88,;27.65,-58.41,;28.99,-59.18,;26.33,-59.18,;26.31,-54.57,;27.64,-53.79,;28.98,-54.56,;27.66,-52.23,;28.99,-51.47,;26.32,-51.47,;26.33,-49.94,;24.99,-49.18,;26.32,-48.42,;27.66,-49.18,;28.99,-48.42,;30.32,-49.19,;31.65,-48.43,;32.99,-49.2,;31.66,-46.88,;24.99,-47.65,;23.67,-46.88,;23.68,-45.34,;22.33,-47.63,;22.33,-49.17,;23.66,-49.94,;23.66,-51.49,;25,-52.25,;25,-53.79,;21.01,-46.87,;19.67,-47.63,;18.32,-46.84,;19.67,-49.17,;18.34,-49.94,;16.98,-49.15,;15.63,-49.94,;14.27,-49.16,;14.27,-47.58,;15.62,-46.81,;16.99,-47.59,;21,-49.94,;15.69,-51.53,;16.96,-52.29,;14.3,-52.31,;12.95,-51.52,;11.38,-51.56,;10.49,-52.85,;8.98,-52.4,;8.95,-50.83,;10.43,-50.31,;14.31,-53.84,;12.98,-54.62,;11.64,-53.85,;12.99,-56.16,;14.32,-56.92,;14.32,-58.46,;15.66,-59.23,;15.67,-60.77,;17,-61.53,;18.34,-60.75,;19.67,-61.52,;19.67,-63.06,;21,-60.74,;22.33,-61.51,;22.34,-63.05,;21.01,-63.82,;21.02,-65.36,;22.35,-66.12,;23.69,-65.34,;23.68,-63.81,;21,-59.21,;22.32,-58.43,;23.66,-59.2,;17.01,-63.07,;18.35,-63.84,;15.68,-63.84,;15.69,-65.38,;17.02,-66.15,;17.03,-67.69,;15.69,-68.46,;15.7,-70,;17.04,-70.76,;17.04,-72.3,;18.37,-69.98,;18.36,-68.45,;14.35,-66.16,;14.36,-67.7,;13.02,-65.39,;11.65,-56.93,;11.66,-58.48,;13,-59.24,;10.33,-59.24,;8.99,-58.48,;10.34,-60.78,;9,-61.56,;7.67,-60.8,;6.34,-61.57,;6.34,-63.11,;5,-63.88,;7.67,-63.89,;9.01,-63.11,)| Show InChI InChI=1S/C69H89N19O15S3/c1-37-59(94)81-49(26-39-10-5-3-6-11-39)63(98)87-55(67(102)80-48(58(72)93)25-42-17-21-46(90)22-18-42)34-106-105-33-54(85-61(96)47(70)24-41-15-19-45(89)20-16-41)68(103)84-51(28-44-30-75-36-77-44)65(100)83-50(27-40-12-7-4-8-13-40)64(99)86-53-32-104-35-57(92)88(31-43(79-66(53)101)14-9-23-76-69(73)74)38(2)60(95)82-52(29-56(71)91)62(97)78-37/h3-8,10-13,15-22,30,36-38,43,47-55,89-90H,9,14,23-29,31-35,70H2,1-2H3,(H2,71,91)(H2,72,93)(H,75,77)(H,78,97)(H,79,101)(H,80,102)(H,81,94)(H,82,95)(H,83,100)(H,84,103)(H,85,96)(H,86,99)(H,87,98)(H4,73,74,76)/t37-,38-,43-,47-,48-,49-,50+,51-,52-,53+,54-,55-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 125 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427688
(CHEMBL2323793)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:94.101,80.86,5.5,61.66,37.38,13.13,wD:109.118,71.114,76.98,46.49,26.28,1.0,(17.32,-12.48,;18.66,-13.24,;19.99,-12.47,;21.32,-13.23,;21.33,-14.77,;22.66,-12.45,;23.99,-13.22,;23.99,-14.76,;25.33,-15.52,;22.67,-15.53,;22.65,-10.91,;23.98,-10.14,;25.32,-10.91,;24,-8.58,;25.32,-7.82,;26.61,-8.67,;28.05,-8.14,;29,-9.35,;28.15,-10.63,;28.53,-12.11,;27.43,-13.18,;25.95,-12.77,;25.58,-11.29,;26.67,-10.21,;22.66,-7.82,;22.66,-6.29,;21.33,-5.52,;22.66,-4.76,;24,-5.53,;25.32,-4.77,;26.66,-5.54,;27.99,-4.78,;29.33,-5.55,;28,-3.23,;21.33,-4,;20.01,-3.22,;20.02,-1.68,;18.67,-3.98,;18.67,-5.52,;20,-6.28,;20,-7.83,;21.34,-8.6,;21.34,-10.14,;17.35,-3.21,;16.01,-3.98,;14.65,-4.75,;16.01,-5.52,;14.68,-6.28,;13.32,-5.5,;11.97,-6.29,;10.61,-5.51,;10.6,-3.93,;11.97,-3.14,;11.97,-1.58,;13.33,-.79,;14.7,-1.58,;14.69,-3.16,;13.33,-3.94,;17.34,-6.29,;12.03,-7.88,;13.3,-8.64,;10.64,-8.65,;9.29,-7.87,;7.72,-7.9,;6.82,-9.2,;5.32,-8.75,;5.28,-7.18,;6.77,-6.66,;10.65,-10.19,;9.32,-10.97,;7.98,-10.2,;9.32,-12.51,;10.66,-13.27,;10.66,-14.81,;12,-15.58,;12.01,-17.12,;13.34,-17.88,;14.67,-17.1,;16.01,-17.87,;16.01,-19.41,;17.34,-17.09,;18.67,-17.86,;18.68,-19.4,;17.35,-20.17,;17.36,-21.71,;18.69,-22.47,;20.03,-21.69,;20.02,-20.16,;17.34,-15.55,;18.66,-14.78,;20,-15.55,;13.35,-19.42,;14.68,-20.19,;12.01,-20.19,;12.02,-21.73,;13.36,-22.5,;13.37,-24.04,;12.03,-24.81,;12.04,-26.35,;13.37,-27.11,;13.38,-28.65,;14.71,-26.33,;14.7,-24.8,;10.69,-22.51,;10.7,-24.05,;9.35,-21.74,;7.99,-13.28,;8,-14.82,;9.33,-15.58,;6.66,-15.59,;5.33,-14.83,;6.67,-17.13,;5.34,-17.91,;4.01,-17.15,;2.67,-17.92,;2.68,-19.46,;1.34,-20.23,;4.01,-20.23,;5.35,-19.45,)| Show InChI InChI=1S/C81H96N20O15S3/c1-44-71(107)94-60(31-45-11-3-2-4-12-45)74(110)100-66(78(114)93-59(70(84)106)30-47-22-26-54(103)27-23-47)41-119-118-40-65(98-72(108)57(82)29-46-20-24-53(102)25-21-46)79(115)96-62(34-52-37-87-43-90-52)76(112)95-61(32-49-15-9-14-48-13-5-6-17-55(48)49)75(111)99-64-39-117-42-69(105)101(38-51(92-77(64)113)16-10-28-88-81(85)86)67(33-50-36-89-58-19-8-7-18-56(50)58)80(116)97-63(35-68(83)104)73(109)91-44/h2-9,11-15,17-27,36-37,43-44,51,57,59-67,89,102-103H,10,16,28-35,38-42,82H2,1H3,(H2,83,104)(H2,84,106)(H,87,90)(H,91,109)(H,92,113)(H,93,114)(H,94,107)(H,95,112)(H,96,115)(H,97,116)(H,98,108)(H,99,111)(H,100,110)(H4,85,86,88)/t44-,51-,57-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 205 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427687
(CHEMBL2323795)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,37.38,13.13,wD:106.114,68.110,73.94,46.49,26.28,1.0,(20.58,-54.64,;21.92,-55.4,;23.25,-54.63,;24.59,-55.39,;24.59,-56.93,;25.92,-54.61,;27.26,-55.38,;27.26,-56.92,;28.59,-57.68,;25.93,-57.69,;25.91,-53.08,;27.25,-52.3,;28.58,-53.07,;27.26,-50.74,;28.59,-49.98,;29.88,-50.83,;31.31,-50.3,;32.26,-51.51,;31.41,-52.79,;31.79,-54.27,;30.7,-55.34,;29.21,-54.93,;28.84,-53.45,;29.93,-52.37,;25.92,-49.98,;25.93,-48.45,;24.59,-47.68,;25.93,-46.92,;27.26,-47.69,;28.59,-46.93,;29.92,-47.7,;31.26,-46.94,;32.59,-47.71,;31.26,-45.39,;24.6,-46.16,;23.27,-45.38,;23.28,-43.84,;21.93,-46.14,;21.93,-47.68,;23.26,-48.44,;23.27,-49.99,;24.6,-50.76,;24.61,-52.3,;20.61,-45.37,;19.27,-46.14,;17.92,-45.35,;19.27,-47.68,;17.94,-48.45,;16.58,-47.66,;15.23,-48.45,;13.87,-47.67,;13.87,-46.09,;12.51,-45.3,;15.22,-45.31,;16.59,-46.1,;20.6,-48.45,;15.29,-50.04,;16.56,-50.8,;13.9,-50.81,;12.55,-50.03,;10.98,-50.07,;10.08,-51.36,;8.58,-50.91,;8.54,-49.34,;10.03,-48.82,;13.91,-52.35,;12.58,-53.13,;11.24,-52.36,;12.59,-54.67,;13.92,-55.43,;13.92,-56.97,;15.26,-57.74,;15.27,-59.28,;16.6,-60.04,;17.94,-59.26,;19.27,-60.03,;19.27,-61.57,;20.6,-59.25,;21.93,-60.02,;21.94,-61.56,;20.61,-62.33,;20.62,-63.87,;21.96,-64.63,;23.29,-63.85,;23.28,-62.32,;20.6,-57.72,;21.92,-56.94,;23.26,-57.71,;16.61,-61.58,;17.95,-62.35,;15.28,-62.36,;15.29,-63.89,;16.62,-64.66,;16.63,-66.2,;15.29,-66.97,;15.3,-68.51,;16.64,-69.27,;16.64,-70.81,;17.97,-68.49,;17.96,-66.96,;13.95,-64.67,;13.96,-66.21,;12.62,-63.9,;11.25,-55.44,;11.26,-56.98,;12.6,-57.75,;9.93,-57.75,;8.59,-56.99,;9.93,-59.29,;8.6,-60.07,;7.27,-59.31,;5.93,-60.08,;5.94,-61.62,;4.6,-62.39,;7.27,-62.4,;8.61,-61.62,)| Show InChI InChI=1S/C77H93IN20O15S3/c1-41-67(104)91-56(28-42-8-3-2-4-9-42)70(107)97-62(74(111)90-55(66(81)103)27-45-17-23-51(100)24-18-45)38-116-115-37-61(95-68(105)53(79)26-43-15-21-50(99)22-16-43)75(112)93-58(31-49-34-84-40-87-49)72(109)92-57(29-44-13-19-47(78)20-14-44)71(108)96-60-36-114-39-65(102)98(35-48(89-73(60)110)10-7-25-85-77(82)83)63(30-46-33-86-54-12-6-5-11-52(46)54)76(113)94-59(32-64(80)101)69(106)88-41/h2-6,8-9,11-24,33-34,40-41,48,53,55-63,86,99-100H,7,10,25-32,35-39,79H2,1H3,(H2,80,101)(H2,81,103)(H,84,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,82,83,85)/t41-,48-,53-,55-,56-,57+,58-,59-,60+,61-,62-,63-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427679
(CHEMBL2323787)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:93.99,79.84,5.5,60.64,40.41,13.13,wD:108.116,70.112,75.96,49.52,29.31,1.0,(17.31,-55.49,;18.65,-56.25,;19.97,-55.48,;21.31,-56.24,;21.32,-57.78,;22.64,-55.47,;23.97,-56.24,;23.98,-57.77,;25.31,-58.54,;22.65,-58.54,;22.63,-53.93,;23.97,-53.15,;25.3,-53.92,;23.98,-51.6,;25.31,-50.84,;26.66,-51.63,;26.65,-53.19,;28.01,-53.98,;29.37,-53.2,;29.37,-51.62,;28.01,-50.84,;30.72,-53.98,;30.72,-55.55,;32.08,-56.33,;33.44,-55.55,;33.43,-53.97,;32.08,-53.19,;22.64,-50.84,;22.65,-49.31,;21.31,-48.54,;22.65,-47.78,;23.98,-48.55,;25.31,-47.79,;26.64,-48.56,;27.97,-47.8,;29.31,-48.57,;27.98,-46.25,;21.32,-47.02,;19.99,-46.25,;20,-44.71,;18.65,-47,;18.65,-48.54,;19.99,-49.3,;19.99,-50.85,;21.32,-51.62,;21.33,-53.16,;17.34,-46.24,;16,-47,;14.64,-46.21,;16,-48.54,;14.67,-49.3,;13.31,-48.52,;11.96,-49.31,;10.6,-48.53,;10.6,-46.95,;11.95,-46.17,;13.32,-46.96,;17.33,-49.31,;12.02,-50.89,;13.29,-51.66,;10.63,-51.67,;9.29,-50.89,;7.72,-50.92,;6.82,-52.22,;5.32,-51.76,;5.28,-50.2,;6.76,-49.68,;10.64,-53.21,;9.31,-53.98,;7.97,-53.22,;9.32,-55.52,;10.65,-56.28,;10.65,-57.82,;11.99,-58.59,;12,-60.13,;13.33,-60.89,;14.66,-60.11,;16,-60.88,;16,-62.42,;17.32,-60.1,;18.66,-60.87,;18.67,-62.41,;17.34,-63.18,;17.34,-64.72,;18.68,-65.48,;20.01,-64.7,;20,-63.17,;17.32,-58.57,;18.65,-57.79,;19.98,-58.56,;13.34,-62.43,;14.67,-63.19,;12.01,-63.2,;12.02,-64.74,;13.35,-65.51,;13.36,-67.05,;12.02,-67.82,;12.03,-69.35,;13.37,-70.11,;13.37,-71.65,;14.7,-69.33,;14.69,-67.8,;10.68,-65.52,;10.69,-67.05,;9.35,-64.75,;7.99,-56.29,;7.99,-57.84,;9.33,-58.6,;6.66,-58.6,;5.33,-57.84,;6.67,-60.14,;5.34,-60.92,;4,-60.16,;2.67,-60.93,;2.68,-62.47,;1.34,-63.24,;4.01,-63.24,;5.34,-62.46,)| Show InChI InChI=1S/C81H97N19O15S3/c1-46-71(106)93-60(34-47-12-5-2-6-13-47)74(109)99-66(78(113)92-59(70(84)105)33-50-23-29-57(102)30-24-50)43-118-117-42-65(97-72(107)58(82)32-49-21-27-56(101)28-22-49)79(114)95-62(37-55-39-87-45-89-55)76(111)94-61(35-48-14-7-3-8-15-48)75(110)98-64-41-116-44-69(104)100(40-54(91-77(64)112)18-11-31-88-81(85)86)67(80(115)96-63(38-68(83)103)73(108)90-46)36-51-19-25-53(26-20-51)52-16-9-4-10-17-52/h2-10,12-17,19-30,39,45-46,54,58-67,101-102H,11,18,31-38,40-44,82H2,1H3,(H2,83,103)(H2,84,105)(H,87,89)(H,90,108)(H,91,112)(H,92,113)(H,93,106)(H,94,111)(H,95,114)(H,96,115)(H,97,107)(H,98,110)(H,99,109)(H4,85,86,88)/t46-,54-,58-,59-,60-,61+,62-,63-,64+,65-,66-,67-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427685
(CHEMBL2323798)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C77H94N18O15S3/c1-43-68(101)88-57(30-44-12-4-2-5-13-44)71(104)94-63(75(108)87-56(67(81)100)29-47-21-25-52(97)26-22-47)40-113-112-39-62(92-69(102)54(79)28-46-19-23-51(96)24-20-46)76(109)90-59(33-50-36-82-42-84-50)73(106)89-58(31-45-14-6-3-7-15-45)72(105)93-61-38-111-41-66(99)95(37-49(86-74(61)107)16-10-11-27-78)64(32-48-35-83-55-18-9-8-17-53(48)55)77(110)91-60(34-65(80)98)70(103)85-43/h2-9,12-15,17-26,35-36,42-43,49,54,56-64,83,96-97H,10-11,16,27-34,37-41,78-79H2,1H3,(H2,80,98)(H2,81,100)(H,82,84)(H,85,103)(H,86,107)(H,87,108)(H,88,101)(H,89,106)(H,90,109)(H,91,110)(H,92,102)(H,93,105)(H,94,104)/t43-,49-,54-,56-,57-,58+,59-,60-,61+,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.54E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50427689
(CHEMBL2323792)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:84.89,70.74,5.5,51.54,37.38,46.49,13.13,wD:99.106,61.102,66.86,26.28,1.0,(17.51,-48.64,;18.85,-49.41,;20.18,-48.64,;21.52,-49.4,;21.52,-50.94,;22.85,-48.62,;24.19,-49.39,;24.19,-50.93,;25.52,-51.69,;22.86,-51.7,;22.84,-47.08,;24.18,-46.3,;25.51,-47.07,;24.19,-44.75,;25.52,-43.98,;26.81,-44.84,;28.25,-44.31,;29.2,-45.52,;28.34,-46.8,;28.73,-48.27,;27.63,-49.34,;26.15,-48.94,;25.77,-47.45,;26.86,-46.38,;22.85,-43.98,;22.86,-42.45,;21.52,-41.68,;22.86,-40.92,;24.19,-41.69,;25.52,-40.93,;26.86,-41.7,;28.19,-40.94,;29.53,-41.71,;28.2,-39.39,;21.53,-40.16,;20.2,-39.38,;20.21,-37.84,;18.86,-40.14,;18.86,-41.68,;20.19,-42.45,;20.19,-44,;21.53,-44.76,;21.54,-46.3,;17.54,-39.37,;16.2,-40.14,;14.87,-39.37,;16.2,-41.68,;14.86,-42.45,;17.53,-42.45,;12.21,-44.04,;13.49,-44.8,;10.82,-44.82,;9.47,-44.04,;9.47,-42.47,;8.19,-41.55,;8.67,-40.05,;10.24,-40.05,;10.73,-41.54,;10.83,-46.36,;9.5,-47.13,;8.16,-46.36,;9.51,-48.67,;10.84,-49.44,;10.84,-50.98,;12.18,-51.75,;12.19,-53.29,;13.53,-54.05,;14.86,-53.27,;16.2,-54.04,;16.2,-55.58,;17.53,-53.26,;18.86,-54.03,;18.87,-55.57,;17.54,-56.35,;17.55,-57.88,;18.88,-58.65,;20.22,-57.87,;20.21,-56.33,;17.52,-51.72,;18.85,-50.95,;20.19,-51.72,;13.53,-55.59,;14.87,-56.36,;12.2,-56.37,;12.21,-57.91,;13.54,-58.68,;13.55,-60.22,;12.21,-60.99,;12.22,-62.53,;13.56,-63.29,;13.56,-64.83,;14.89,-62.51,;14.88,-60.97,;10.87,-58.68,;10.88,-60.22,;9.54,-57.91,;8.17,-49.44,;8.18,-50.99,;9.52,-51.75,;6.84,-51.76,;5.51,-51,;6.85,-53.3,;5.52,-54.08,;4.18,-53.32,;2.85,-54.09,;2.86,-55.63,;1.51,-56.41,;4.19,-56.41,;5.53,-55.63,)| Show InChI InChI=1S/C71H90N20O15S3/c1-37-61(97)85-51(25-39-9-4-3-5-10-39)66(102)90-56(68(104)84-50(60(74)96)24-41-16-20-46(93)21-17-41)34-109-108-33-55(89-63(99)48(72)23-40-14-18-45(92)19-15-40)69(105)86-52(27-44-30-77-36-80-44)64(100)81-38(2)62(98)88-54-32-107-35-59(95)91(31-43(83-67(54)103)11-8-22-78-71(75)76)57(26-42-29-79-49-13-7-6-12-47(42)49)70(106)87-53(28-58(73)94)65(101)82-37/h3-7,9-10,12-21,29-30,36-38,43,48,50-57,79,92-93H,8,11,22-28,31-35,72H2,1-2H3,(H2,73,94)(H2,74,96)(H,77,80)(H,81,100)(H,82,101)(H,83,103)(H,84,104)(H,85,97)(H,86,105)(H,87,106)(H,88,98)(H,89,99)(H,90,102)(H4,75,76,78)/t37-,38-,43-,48-,50-,51-,52-,53-,54+,55-,56-,57-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.72E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427681
(CHEMBL2323785)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,27.29,1.0,(18.43,-11.75,;19.77,-12.51,;21.1,-11.75,;22.43,-12.51,;22.44,-14.04,;23.77,-11.73,;25.1,-12.5,;25.1,-14.04,;26.44,-14.8,;23.78,-14.81,;23.76,-10.19,;25.09,-9.42,;26.42,-10.19,;25.11,-7.86,;26.43,-7.1,;27.79,-7.89,;27.78,-9.46,;29.13,-10.24,;30.49,-9.46,;31.85,-10.24,;33.21,-9.46,;33.21,-7.88,;31.85,-7.1,;30.49,-7.88,;29.14,-7.1,;23.76,-7.1,;23.77,-5.57,;22.44,-4.8,;23.77,-4.04,;25.11,-4.81,;26.43,-4.05,;27.77,-4.82,;29.1,-4.06,;30.43,-4.83,;29.11,-2.51,;22.44,-3.28,;21.12,-2.51,;21.13,-.97,;19.78,-3.26,;19.78,-4.8,;21.11,-5.57,;21.11,-7.11,;22.45,-7.88,;22.45,-9.42,;18.46,-2.5,;17.13,-3.26,;15.77,-2.47,;17.13,-4.8,;15.79,-5.57,;14.43,-4.78,;13.09,-5.57,;11.73,-4.79,;11.72,-3.21,;13.08,-2.44,;14.44,-3.22,;18.45,-5.57,;13.14,-7.16,;14.42,-7.92,;11.76,-7.93,;10.41,-7.15,;8.84,-7.19,;7.94,-8.48,;6.44,-8.03,;6.41,-6.46,;7.89,-5.94,;11.77,-9.47,;10.43,-10.25,;9.1,-9.48,;10.44,-11.78,;11.78,-12.55,;11.78,-14.08,;13.11,-14.85,;13.12,-16.39,;14.46,-17.15,;15.79,-16.37,;17.12,-17.14,;17.13,-18.68,;18.45,-16.37,;19.78,-17.13,;19.79,-18.67,;18.46,-19.44,;18.47,-20.98,;19.81,-21.74,;21.14,-20.96,;21.13,-19.43,;18.45,-14.83,;19.77,-14.05,;21.11,-14.82,;14.47,-18.69,;15.8,-19.46,;13.13,-19.46,;13.14,-21,;14.48,-21.77,;14.48,-23.31,;13.15,-24.08,;13.15,-25.61,;14.49,-26.38,;14.5,-27.91,;15.82,-25.59,;15.81,-24.06,;11.81,-21.78,;11.82,-23.32,;10.47,-21.01,;9.11,-12.55,;9.12,-14.1,;10.45,-14.86,;7.79,-14.87,;6.45,-14.11,;7.8,-16.4,;6.46,-17.18,;5.13,-16.42,;3.8,-17.19,;3.8,-18.73,;2.46,-19.5,;5.13,-19.51,;6.47,-18.73,)| Show InChI InChI=1S/C79H95N19O15S3/c1-44-69(104)91-58(32-45-11-4-2-5-12-45)72(107)97-64(76(111)90-57(68(82)103)31-48-21-26-55(100)27-22-48)41-116-115-40-63(95-70(105)56(80)30-47-19-24-54(99)25-20-47)77(112)93-60(35-53-37-85-43-87-53)74(109)92-59(33-46-13-6-3-7-14-46)73(108)96-62-39-114-42-67(102)98(38-52(89-75(62)110)17-10-28-86-79(83)84)65(78(113)94-61(36-66(81)101)71(106)88-44)34-49-18-23-50-15-8-9-16-51(50)29-49/h2-9,11-16,18-27,29,37,43-44,52,56-65,99-100H,10,17,28,30-36,38-42,80H2,1H3,(H2,81,101)(H2,82,103)(H,85,87)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,109)(H,93,112)(H,94,113)(H,95,105)(H,96,108)(H,97,107)(H4,83,84,86)/t44-,52-,56-,57-,58-,59+,60-,61-,62+,63-,64-,65-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50427692
(CHEMBL2323789)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,57.61,37.38,13.13,wD:106.114,68.110,73.94,46.49,26.28,1.0,(18.6,-47.18,;19.95,-47.95,;21.28,-47.18,;22.61,-47.94,;22.62,-49.48,;23.95,-47.16,;25.29,-47.93,;25.29,-49.47,;26.62,-50.23,;23.96,-50.24,;23.94,-45.62,;25.28,-44.84,;26.61,-45.61,;25.29,-43.29,;26.62,-42.52,;27.91,-43.38,;29.35,-42.85,;30.3,-44.06,;29.44,-45.34,;29.83,-46.81,;28.73,-47.88,;27.25,-47.48,;26.87,-45.99,;27.96,-44.92,;23.95,-42.52,;23.96,-40.99,;22.62,-40.22,;23.96,-39.46,;25.29,-40.23,;26.62,-39.47,;27.96,-40.24,;29.29,-39.48,;30.63,-40.25,;29.3,-37.93,;22.62,-38.7,;21.3,-37.92,;21.31,-36.38,;19.95,-38.68,;19.96,-40.22,;21.29,-40.99,;21.29,-42.54,;22.63,-43.3,;22.63,-44.84,;18.63,-37.91,;17.3,-38.68,;15.97,-37.91,;17.3,-40.22,;15.96,-40.99,;14.63,-40.21,;14.64,-38.67,;13.31,-37.89,;11.96,-38.66,;11.97,-40.21,;13.3,-40.98,;18.63,-40.99,;13.31,-42.58,;14.59,-43.34,;11.92,-43.36,;10.57,-42.58,;9.77,-41.21,;10.57,-39.84,;9.77,-38.47,;8.18,-38.47,;7.39,-39.86,;8.2,-41.22,;11.93,-44.9,;10.6,-45.67,;9.26,-44.9,;10.6,-47.21,;11.94,-47.98,;11.94,-49.52,;13.28,-50.29,;13.29,-51.83,;14.62,-52.59,;15.96,-51.81,;17.3,-52.58,;17.3,-54.12,;18.62,-51.8,;19.96,-52.57,;19.97,-54.11,;18.64,-54.89,;18.64,-56.42,;19.98,-57.19,;21.32,-56.41,;21.31,-54.87,;18.62,-50.26,;19.95,-49.49,;21.29,-50.26,;14.63,-54.13,;15.97,-54.9,;13.3,-54.91,;13.31,-56.45,;14.64,-57.22,;14.65,-58.76,;13.31,-59.53,;13.32,-61.07,;14.66,-61.83,;14.66,-63.37,;15.99,-61.05,;15.98,-59.51,;11.97,-57.22,;11.98,-58.76,;10.63,-56.45,;9.27,-47.98,;9.28,-49.53,;10.61,-50.29,;7.94,-50.3,;6.61,-49.54,;7.95,-51.84,;6.62,-52.62,;5.28,-51.86,;3.95,-52.63,;3.95,-54.17,;2.61,-54.95,;5.29,-54.95,;6.62,-54.17,)| Show InChI InChI=1S/C80H96N18O15S3/c1-45-70(104)91-59(34-46-14-5-2-6-15-46)74(108)97-65(77(111)90-58(69(83)103)33-50-25-29-54(100)30-26-50)43-116-115-42-64(95-71(105)56(81)32-49-23-27-53(99)28-24-49)78(112)93-60(35-47-16-7-3-8-17-47)73(107)92-61(36-48-18-9-4-10-19-48)75(109)96-63-41-114-44-68(102)98(40-52(89-76(63)110)20-13-31-86-80(84)85)66(37-51-39-87-57-22-12-11-21-55(51)57)79(113)94-62(38-67(82)101)72(106)88-45/h2-12,14-19,21-30,39,45,52,56,58-66,87,99-100H,13,20,31-38,40-44,81H2,1H3,(H2,82,101)(H2,83,103)(H,88,106)(H,89,110)(H,90,111)(H,91,104)(H,92,107)(H,93,112)(H,94,113)(H,95,105)(H,96,109)(H,97,108)(H4,84,85,86)/t45-,52-,56-,58-,59-,60-,61+,62-,63+,64-,65-,66-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50339348
((4R,7S,10S,13S,16S,19S,22R,25S,28R)-25-((1H-imidaz...)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:27.29,13.13,1.0,68.72,49.52,wD:38.40,5.5,64.84,59.100,82.87,97.104,(5.98,2.25,;4.65,1.48,;3.32,2.25,;3.32,3.79,;4.65,4.56,;1.99,4.56,;.65,3.79,;.65,2.25,;1.99,1.48,;-.69,1.48,;1.99,6.1,;.65,6.86,;-.69,6.1,;.65,8.41,;1.99,9.18,;3.32,8.41,;3.48,6.87,;4.98,6.56,;5.75,7.89,;7.26,8.21,;7.73,9.67,;6.71,10.82,;5.2,10.49,;4.72,9.03,;-.69,9.18,;-2.02,8.41,;-2.02,6.86,;-3.35,9.18,;-3.35,10.71,;-4.68,11.49,;-6.01,10.71,;-7.34,11.49,;-7.34,13.03,;-6.01,13.79,;-8.68,13.79,;-4.68,8.41,;-4.68,6.86,;-3.35,6.1,;-6.01,6.1,;-7.34,6.86,;-8.68,6.1,;-10.02,6.86,;-11.35,6.1,;-11.35,4.56,;-10.02,3.79,;-8.68,4.56,;-6.01,4.56,;-4.68,3.79,;-3.35,4.56,;-4.68,2.25,;-6.02,1.49,;-7.35,2.27,;-8.77,1.66,;-9.79,2.81,;-9,4.14,;-7.5,3.8,;-3.35,1.47,;-3.36,-.07,;-2.03,-.85,;-4.7,-.84,;-4.71,-2.38,;-3.38,-3.16,;-.71,-3.02,;.64,-2.26,;1.97,-3.03,;3.32,-2.31,;4.63,-3.11,;4.6,-4.65,;5.98,-2.37,;7.3,-3.16,;8.64,-2.42,;9.97,-3.22,;11.31,-2.47,;11.35,-.94,;10.03,-.14,;8.68,-.88,;5.98,-.83,;4.65,-.06,;3.32,-.83,;1.96,-4.55,;.61,-5.3,;3.27,-5.35,;3.24,-6.89,;1.89,-7.63,;1.86,-9.17,;.51,-9.91,;.47,-11.45,;1.79,-12.25,;1.76,-13.79,;3.15,-11.5,;3.17,-9.96,;4.56,-7.69,;5.91,-6.95,;4.53,-9.23,;-6.03,-.06,;-7.37,-.83,;-8.7,-.04,;-7.38,-2.37,;-8.72,-3.13,;-6.05,-3.14,;-6.05,-4.69,;-7.39,-5.45,;-7.4,-6.99,;-6.07,-7.77,;-6.08,-9.31,;-4.73,-7,;-4.72,-5.46,)| Show InChI InChI=1S/C72H87N19O14S2/c1-39-62(96)85-53(29-40-11-4-2-5-12-40)67(101)91-59(70(104)84-52(61(75)95)28-43-20-24-47(93)25-21-43)37-107-106-36-58(90-63(97)49(73)27-42-18-22-46(92)23-19-42)71(105)88-56(32-45-35-78-38-81-45)69(103)86-54(30-41-13-6-3-7-14-41)66(100)83-51(17-10-26-79-72(76)77)64(98)87-55(31-44-34-80-50-16-9-8-15-48(44)50)68(102)89-57(33-60(74)94)65(99)82-39/h2-9,11-16,18-25,34-35,38-39,49,51-59,80,92-93H,10,17,26-33,36-37,73H2,1H3,(H2,74,94)(H2,75,95)(H,78,81)(H,82,99)(H,83,100)(H,84,104)(H,85,96)(H,86,103)(H,87,98)(H,88,105)(H,89,102)(H,90,97)(H,91,101)(H4,76,77,79)/t39-,49-,51-,52-,53-,54+,55-,56-,57-,58-,59-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50427690
(CHEMBL2323791)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:86.92,72.77,5.5,53.57,37.38,13.13,wD:101.109,63.105,68.89,26.28,1.0,46.53,(40.41,-24.22,;41.75,-24.98,;43.08,-24.21,;44.42,-24.97,;44.43,-26.51,;45.75,-24.2,;47.09,-24.97,;47.09,-26.51,;48.43,-27.27,;45.76,-27.28,;45.74,-22.66,;47.08,-21.88,;48.42,-22.65,;47.09,-20.32,;48.42,-19.56,;49.71,-20.41,;51.15,-19.88,;52.1,-21.09,;51.25,-22.37,;51.63,-23.85,;50.53,-24.92,;49.05,-24.51,;48.68,-23.03,;49.77,-21.95,;45.75,-19.56,;45.76,-18.02,;44.42,-17.26,;45.76,-16.5,;47.1,-17.26,;48.42,-16.5,;49.76,-17.28,;51.09,-16.51,;52.43,-17.29,;51.1,-14.96,;44.43,-15.73,;43.1,-14.96,;43.11,-13.42,;41.76,-15.71,;41.75,-17.22,;43.09,-18.02,;43.1,-19.57,;44.43,-20.34,;44.44,-21.88,;40.44,-14.95,;39.07,-15.72,;37.77,-14.94,;38.98,-17.27,;40.26,-18.11,;39.85,-19.59,;38.32,-19.65,;37.79,-18.22,;35.11,-19.61,;36.39,-20.38,;33.73,-20.39,;32.37,-19.62,;32.37,-18.05,;31.09,-17.13,;31.57,-15.63,;33.14,-15.63,;33.63,-17.12,;33.73,-21.93,;32.4,-22.71,;31.06,-21.94,;32.41,-24.25,;33.74,-25.01,;33.75,-26.55,;35.08,-27.32,;35.09,-28.86,;36.43,-29.62,;37.76,-28.85,;39.1,-29.62,;39.1,-31.16,;40.43,-28.84,;41.76,-29.61,;41.77,-31.15,;40.44,-31.92,;40.45,-33.46,;41.79,-34.22,;43.12,-33.44,;43.11,-31.91,;40.43,-27.3,;41.75,-26.52,;43.09,-27.29,;36.44,-31.16,;37.77,-31.93,;35.1,-31.94,;35.11,-33.48,;36.45,-34.25,;36.46,-35.79,;35.12,-36.56,;35.12,-38.1,;36.46,-38.86,;36.47,-40.4,;37.8,-38.08,;37.79,-36.55,;33.77,-34.26,;33.78,-35.8,;32.44,-33.49,;31.07,-25.02,;31.08,-26.57,;32.42,-27.33,;29.75,-27.34,;28.41,-26.57,;29.75,-28.88,;28.42,-29.65,;27.08,-28.89,;25.75,-29.67,;25.76,-31.2,;24.42,-31.98,;27.09,-31.98,;28.43,-31.2,)| Show InChI InChI=1S/C73H92N20O15S3/c1-39-63(99)86-52(27-40-9-3-2-4-10-40)66(102)90-57(68(104)85-51(62(76)98)26-42-17-21-47(95)22-18-42)36-111-110-35-56(89-64(100)49(74)25-41-15-19-46(94)20-16-41)69(105)88-54(29-45-32-79-38-82-45)72(108)92-24-8-14-58(92)70(106)91-55-34-109-37-61(97)93(33-44(84-67(55)103)11-7-23-80-73(77)78)59(28-43-31-81-50-13-6-5-12-48(43)50)71(107)87-53(30-60(75)96)65(101)83-39/h2-6,9-10,12-13,15-22,31-32,38-39,44,49,51-59,81,94-95H,7-8,11,14,23-30,33-37,74H2,1H3,(H2,75,96)(H2,76,98)(H,79,82)(H,83,101)(H,84,103)(H,85,104)(H,86,99)(H,87,107)(H,88,105)(H,89,100)(H,90,102)(H,91,106)(H4,77,78,80)/t39-,44-,49-,51-,52-,53-,54-,55+,56-,57-,58-,59-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50427683
(CHEMBL2323800)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)[C@]23CCCN2C(=O)[C@@H](CSCC3=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C75H86N16O15S3/c1-41-65(97)84-55(29-42-11-4-2-5-12-42)69(101)89-60(72(104)83-54(64(78)96)28-45-19-23-49(93)24-20-45)38-109-108-37-59(88-67(99)52(76)27-44-17-21-48(92)22-18-44)73(105)87-57(32-47-35-79-40-81-47)71(103)86-56(30-43-13-6-3-7-14-43)70(102)90-61-36-107-39-62(94)75(25-10-26-91(75)74(61)106)51(31-46-34-80-53-16-9-8-15-50(46)53)66(98)85-58(33-63(77)95)68(100)82-41/h2-9,11-24,34-35,40-41,51-52,54-61,80,92-93H,10,25-33,36-39,76H2,1H3,(H2,77,95)(H2,78,96)(H,79,81)(H,82,100)(H,83,104)(H,84,97)(H,85,98)(H,86,103)(H,87,105)(H,88,99)(H,89,101)(H,90,102)/t41-,51+,52-,54-,55-,56+,57-,58-,59-,60-,61+,75-/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay |
J Med Chem 56: 2747-63 (2013)
Article DOI: 10.1021/jm301253y
BindingDB Entry DOI: 10.7270/Q2NS0W8S |
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Ligand-Target Pair | |
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