Found 79 hits with Last Name = 'witek' and Initial = 'rm' 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 |
|---|
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50339349
((S)-2-acetamido-N-((R)-1-((6S,9S)-4-((S)-1-amino-3...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N(C[C@H](CCCN=C(N)N)NC1=O)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:44.46,25.26,14.14,wD:33.35,4.3,(25.64,-3.74,;25.64,-5.28,;26.98,-6.06,;24.31,-6.06,;24.31,-7.6,;22.97,-8.37,;21.64,-7.6,;20.23,-8.23,;19.2,-7.09,;19.96,-5.75,;21.47,-6.07,;25.65,-8.36,;26.98,-7.6,;25.65,-9.91,;26.98,-10.68,;26.99,-12.22,;25.65,-12.99,;24.32,-12.22,;22.99,-12.99,;22.99,-14.53,;24.33,-15.3,;25.66,-14.52,;28.32,-9.9,;28.32,-8.36,;29.65,-10.67,;30.98,-9.9,;32.31,-10.67,;33.64,-9.9,;34.96,-10.67,;36.3,-9.91,;37.63,-10.69,;36.31,-8.37,;34.97,-7.59,;33.64,-8.36,;33.63,-6.82,;32.29,-6.06,;32.27,-4.52,;30.93,-3.76,;30.92,-2.22,;29.59,-1.46,;32.25,-1.44,;32.31,-7.58,;30.98,-8.36,;29.65,-7.59,;37.65,-7.61,;37.65,-6.07,;38.99,-5.3,;40.4,-5.93,;41.43,-4.79,;40.67,-3.46,;41.15,-2,;40.13,-.85,;38.61,-1.17,;38.14,-2.62,;39.16,-3.76,;38.98,-8.38,;40.32,-7.62,;38.97,-9.92,)| Show InChI InChI=1S/C39H50N12O6S/c1-23(52)47-31(16-27-18-43-22-46-27)37(56)49-30(14-24-8-3-2-4-9-24)36(55)50-32-20-58-21-34(53)51(19-26(48-38(32)57)10-7-13-44-39(41)42)33(35(40)54)15-25-17-45-29-12-6-5-11-28(25)29/h2-6,8-9,11-12,17-18,22,26,30-33,45H,7,10,13-16,19-21H2,1H3,(H2,40,54)(H,43,46)(H,47,52)(H,48,57)(H,49,56)(H,50,55)(H4,41,42,44)/t26-,30+,31-,32+,33-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 164 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50339345
((S)-cis-(2S,5S,8S,11S,14S,17S,22R,25S,28S,31R)-25-...)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)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)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:5.5,72.93,48.50,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,57.61,105.113,(15.4,-29.67,;14.08,-30.48,;14.12,-32.01,;15.48,-32.75,;16.79,-31.94,;15.52,-34.28,;14.2,-35.09,;12.85,-34.35,;12.81,-32.82,;11.54,-35.16,;16.87,-35.03,;16.9,-36.56,;15.59,-37.37,;18.25,-37.3,;19.57,-36.49,;19.53,-34.96,;18.26,-34.08,;18.7,-32.61,;20.24,-32.56,;21.24,-31.39,;22.76,-31.67,;23.27,-33.13,;22.27,-34.3,;20.76,-34.02,;18.3,-38.83,;19.65,-39.57,;20.96,-38.77,;19.7,-41.13,;21.04,-41.89,;21.05,-43.43,;22.39,-44.19,;22.4,-45.73,;23.73,-46.49,;25.06,-45.71,;23.74,-48.02,;18.4,-41.95,;17.03,-41.23,;15.73,-42.05,;15.65,-40.51,;14.31,-39.73,;14.34,-38.18,;13.01,-37.4,;11.66,-38.16,;11.65,-39.71,;12.98,-40.49,;14.36,-41.34,;13.06,-42.17,;11.69,-41.46,;13.13,-43.72,;14.5,-44.42,;15.79,-43.6,;17.15,-44.31,;18.46,-43.49,;19.83,-44.22,;11.84,-44.55,;10.46,-43.83,;10.39,-42.29,;9.16,-44.67,;9.23,-46.22,;7.92,-47.05,;7.84,-48.58,;6.35,-48.98,;5.53,-47.68,;6.5,-46.49,;7.78,-43.96,;7.71,-42.41,;9.01,-41.58,;6.32,-41.69,;6.33,-40.15,;5.01,-39.36,;7.43,-32.91,;8.75,-32.11,;8.71,-30.58,;10.04,-29.79,;10.02,-28.24,;8.67,-27.51,;11.34,-27.46,;11.3,-25.92,;12.62,-25.12,;13.97,-25.86,;15.29,-25.07,;15.24,-23.52,;13.9,-22.78,;12.58,-23.58,;12.69,-28.2,;12.72,-29.73,;11.37,-30.47,;7.41,-29.78,;6.06,-30.53,;7.44,-28.24,;6.13,-27.44,;4.78,-28.18,;3.46,-27.38,;3.5,-25.84,;2.19,-25.05,;.84,-25.78,;-.48,-24.99,;.81,-27.33,;2.12,-28.12,;6.16,-25.9,;4.85,-25.1,;7.51,-25.16,;5,-42.48,;3.65,-41.73,;3.63,-40.19,;2.33,-42.52,;.99,-41.77,;2.35,-44.06,;1.03,-44.84,;-.31,-44.09,;-1.63,-44.88,;-1.61,-46.42,;-2.93,-47.2,;-.26,-47.17,;1.06,-46.38,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,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 | 240 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
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 | 0.350 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50339350
((R)-trans-(2R,5S,8S,11S,14S,17S,20R,25R,28R,31S)-3...)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)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)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:27.29,13.13,1.0,76.81,90.96,wD:5.5,58.61,67.109,48.51,38.40,72.93,105.113,(14.42,-13.56,;13.1,-12.77,;13.11,-11.22,;14.46,-10.47,;15.78,-11.26,;14.48,-8.94,;13.15,-8.14,;11.8,-8.9,;11.79,-10.44,;10.48,-8.11,;15.82,-8.18,;15.84,-6.63,;14.52,-5.85,;17.18,-5.88,;18.51,-6.67,;18.49,-8.21,;17.24,-9.1,;17.69,-10.58,;19.23,-10.6,;20.25,-11.75,;21.77,-11.46,;22.27,-9.99,;21.25,-8.83,;19.73,-9.13,;17.21,-4.34,;18.55,-3.58,;19.87,-4.38,;18.57,-2.05,;19.9,-1.26,;19.88,.28,;21.22,1.06,;21.2,2.6,;22.53,3.39,;23.87,2.62,;22.52,4.93,;17.24,-1.28,;15.89,-2.04,;15.88,-3.59,;14.56,-1.27,;14.57,.28,;15.9,1.03,;17.22,.26,;18.56,1.01,;18.56,2.55,;17.23,3.33,;15.9,2.56,;13.21,-2.03,;11.88,-1.25,;10.54,-2.02,;10.53,-.48,;11.79,.41,;13.24,-.08,;14.16,1.15,;13.27,2.41,;11.8,1.95,;9.21,-1.24,;7.87,-2.02,;6.54,-1.26,;7.87,-3.56,;9.21,-4.33,;10.53,-3.56,;11.86,-4.34,;13.2,-3.57,;14.54,-4.36,;6.54,-4.34,;5.21,-3.58,;5.2,-2.04,;3.87,-4.36,;3.88,-5.9,;5.22,-6.65,;6.27,-10.52,;7.59,-11.31,;7.57,-12.85,;8.94,-13.57,;8.99,-15.11,;7.69,-15.93,;10.37,-15.82,;10.32,-17.37,;11.63,-18.17,;12.99,-17.43,;14.3,-18.24,;14.26,-19.79,;12.91,-20.52,;11.59,-19.71,;11.72,-15.07,;11.75,-13.52,;10.42,-12.73,;6.25,-13.63,;6.27,-15.17,;4.9,-12.88,;3.58,-13.66,;3.6,-15.2,;2.27,-15.98,;.94,-15.22,;-.39,-16,;-.37,-17.54,;-1.69,-18.33,;.98,-18.3,;2.3,-17.51,;2.24,-12.91,;.92,-13.69,;2.22,-11.37,;2.54,-3.59,;1.21,-4.37,;1.22,-5.91,;-.12,-3.61,;-.13,-2.07,;-1.46,-4.39,;-2.79,-3.62,;-2.79,-2.08,;-4.12,-1.32,;-5.45,-2.1,;-6.79,-1.33,;-5.44,-3.64,;-4.1,-4.39,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(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)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,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 | 190 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[C@H](NC(=O)[C@H](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 |r| 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
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0180 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50339343
((S)-cis-(2R,5S,8S,11S,14S,17S,20R,25R,28S,31S)-31-...)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)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)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:27.29,13.13,1.0,76.81,58.61,90.96,wD:5.5,67.109,48.51,38.40,72.93,105.113,(16.35,-42.78,;15.03,-41.99,;15.05,-40.44,;16.39,-39.69,;17.71,-40.47,;16.41,-38.16,;15.08,-37.36,;13.74,-38.12,;13.72,-39.66,;12.42,-37.32,;17.75,-37.4,;17.77,-35.85,;16.45,-35.07,;19.12,-35.1,;20.44,-35.89,;20.43,-37.42,;19.17,-38.32,;19.63,-39.8,;21.17,-39.82,;22.19,-40.97,;23.71,-40.67,;24.21,-39.21,;23.19,-38.05,;21.67,-38.35,;19.15,-33.56,;20.48,-32.8,;21.81,-33.59,;20.51,-31.26,;21.83,-30.48,;21.82,-28.93,;23.15,-28.16,;23.14,-26.62,;24.46,-25.83,;25.81,-26.59,;24.46,-24.29,;19.17,-30.49,;17.82,-31.26,;17.82,-32.8,;16.49,-30.49,;16.5,-28.94,;17.83,-28.18,;19.16,-28.96,;20.49,-28.2,;20.5,-26.66,;19.17,-25.88,;17.83,-26.65,;15.14,-31.25,;13.81,-30.47,;12.47,-31.23,;12.46,-29.69,;13.72,-28.81,;15.17,-29.3,;16.09,-28.06,;15.21,-26.81,;13.74,-27.26,;11.14,-30.46,;9.81,-31.23,;8.47,-30.47,;9.81,-32.78,;11.14,-33.55,;12.46,-32.78,;13.8,-33.56,;15.14,-32.79,;16.48,-33.58,;8.47,-33.56,;7.14,-32.8,;7.13,-31.26,;5.81,-33.58,;5.82,-35.11,;7.16,-35.87,;8.21,-39.74,;9.53,-40.52,;9.5,-42.06,;10.87,-42.79,;10.92,-44.33,;9.62,-45.15,;12.3,-45.03,;12.25,-46.58,;13.57,-47.38,;14.93,-46.65,;16.24,-47.46,;16.2,-49,;14.84,-49.74,;13.52,-48.93,;13.66,-44.28,;13.68,-42.74,;12.36,-41.95,;8.18,-42.85,;8.2,-44.39,;6.84,-42.09,;5.52,-42.88,;5.54,-44.42,;4.21,-45.2,;2.88,-44.44,;1.55,-45.22,;1.57,-46.76,;.25,-47.55,;2.92,-47.52,;4.23,-46.73,;4.17,-42.12,;2.85,-42.91,;4.16,-40.59,;4.48,-32.81,;3.14,-33.59,;3.15,-35.13,;1.81,-32.82,;1.8,-31.29,;.48,-33.6,;-.85,-32.84,;-.85,-31.3,;-2.18,-30.54,;-3.52,-31.32,;-4.85,-30.55,;-3.5,-32.86,;-2.17,-33.61,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(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)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,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 | 1.18E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[C@H](NC(=O)[C@H](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 |r| 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
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50339346
((R)-trans-(2S,5S,8S,11S,14R,19R,22S,25R,28R,31S)-2...)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:1.0,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,37.38,26.28,90.96,105.113,(13.98,-2.99,;15.3,-2.22,;16.62,-2.98,;16.62,-4.5,;15.31,-5.27,;17.94,-5.26,;19.26,-4.5,;19.26,-2.98,;17.94,-2.21,;20.58,-2.21,;17.95,-6.79,;19.28,-7.53,;20.59,-6.77,;19.29,-9.07,;20.8,-9.31,;21.35,-10.73,;20.53,-12.02,;21.5,-13.2,;22.92,-12.64,;24.28,-13.33,;25.55,-12.49,;25.46,-10.96,;24.1,-10.28,;22.83,-11.11,;17.97,-9.85,;16.62,-9.13,;15.33,-9.95,;15.25,-8.42,;13.88,-7.66,;13.87,-6.09,;12.5,-5.32,;11.16,-6.12,;9.8,-5.35,;11.18,-7.69,;13.98,-9.24,;12.69,-10.07,;11.34,-9.36,;12.76,-11.6,;14.11,-12.3,;15.4,-11.48,;16.73,-12.19,;18.03,-11.38,;19.41,-12.11,;11.48,-12.43,;10.09,-11.71,;10,-10.15,;8.76,-12.55,;8.73,-14.12,;10.1,-14.87,;10.12,-16.44,;11.48,-17.2,;12.82,-16.4,;12.8,-14.82,;11.43,-14.07,;7.37,-11.81,;6.07,-12.7,;6.12,-14.27,;4.75,-11.9,;3.5,-12.79,;3.49,-14.32,;2.24,-15.19,;2.7,-16.65,;4.22,-16.66,;4.71,-15.22,;4.77,-10.37,;3.46,-9.57,;2.12,-10.31,;3.49,-8.03,;4.87,-7.3,;4.93,-5.73,;12.79,-2.24,;12.76,-.68,;11.39,.08,;11.36,1.61,;12.67,2.4,;12.67,3.96,;13.97,1.6,;15.27,2.4,;15.24,3.92,;13.9,4.65,;13.86,6.17,;15.17,6.96,;16.5,6.24,;16.54,4.71,;13.98,.06,;15.3,-.68,;16.57,.14,;10.04,-.73,;10.07,-2.3,;8.68,.03,;7.33,-.78,;5.96,-.03,;5.93,1.55,;7.28,2.35,;7.25,3.91,;5.88,4.67,;5.85,6.23,;4.53,3.86,;4.57,2.29,;7.36,-2.35,;8.73,-3.1,;6.02,-3.15,;2.16,-7.2,;2.2,-5.64,;3.58,-4.89,;.88,-4.82,;.92,-3.26,;-.51,-5.56,;-1.84,-4.73,;-1.78,-3.17,;-3.11,-2.35,;-4.49,-3.09,;-5.83,-2.27,;-4.54,-4.67,;-3.2,-5.48,)| 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 | 85 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
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 | 780 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
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
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| n/a | n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50339349
((S)-2-acetamido-N-((R)-1-((6S,9S)-4-((S)-1-amino-3...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N(C[C@H](CCCN=C(N)N)NC1=O)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:44.46,25.26,14.14,wD:33.35,4.3,(25.64,-3.74,;25.64,-5.28,;26.98,-6.06,;24.31,-6.06,;24.31,-7.6,;22.97,-8.37,;21.64,-7.6,;20.23,-8.23,;19.2,-7.09,;19.96,-5.75,;21.47,-6.07,;25.65,-8.36,;26.98,-7.6,;25.65,-9.91,;26.98,-10.68,;26.99,-12.22,;25.65,-12.99,;24.32,-12.22,;22.99,-12.99,;22.99,-14.53,;24.33,-15.3,;25.66,-14.52,;28.32,-9.9,;28.32,-8.36,;29.65,-10.67,;30.98,-9.9,;32.31,-10.67,;33.64,-9.9,;34.96,-10.67,;36.3,-9.91,;37.63,-10.69,;36.31,-8.37,;34.97,-7.59,;33.64,-8.36,;33.63,-6.82,;32.29,-6.06,;32.27,-4.52,;30.93,-3.76,;30.92,-2.22,;29.59,-1.46,;32.25,-1.44,;32.31,-7.58,;30.98,-8.36,;29.65,-7.59,;37.65,-7.61,;37.65,-6.07,;38.99,-5.3,;40.4,-5.93,;41.43,-4.79,;40.67,-3.46,;41.15,-2,;40.13,-.85,;38.61,-1.17,;38.14,-2.62,;39.16,-3.76,;38.98,-8.38,;40.32,-7.62,;38.97,-9.92,)| Show InChI InChI=1S/C39H50N12O6S/c1-23(52)47-31(16-27-18-43-22-46-27)37(56)49-30(14-24-8-3-2-4-9-24)36(55)50-32-20-58-21-34(53)51(19-26(48-38(32)57)10-7-13-44-39(41)42)33(35(40)54)15-25-17-45-29-12-6-5-11-28(25)29/h2-6,8-9,11-12,17-18,22,26,30-33,45H,7,10,13-16,19-21H2,1H3,(H2,40,54)(H,43,46)(H,47,52)(H,48,57)(H,49,56)(H,50,55)(H4,41,42,44)/t26-,30+,31-,32+,33-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 650 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[C@H](NC(=O)[C@H](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 |r| 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
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PubMed
| n/a | n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[C@H](NC(=O)[C@H](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 |r| 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
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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 melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50339344
((R)-trans-(2S,5S,8S,11S,14S,17S,22R,25S,28R,31R)-2...)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)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)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:5.5,72.93,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,48.50,57.61,105.113,(15.46,-1.16,;14.14,-1.97,;14.18,-3.5,;15.53,-4.24,;16.85,-3.43,;15.58,-5.77,;14.26,-6.58,;12.91,-5.84,;12.87,-4.31,;11.6,-6.65,;16.93,-6.52,;16.96,-8.05,;15.65,-8.86,;18.31,-8.79,;19.63,-7.98,;19.59,-6.45,;18.32,-5.57,;18.76,-4.1,;20.3,-4.05,;21.3,-2.88,;22.82,-3.16,;23.33,-4.62,;22.33,-5.79,;20.82,-5.51,;18.36,-10.32,;19.71,-11.06,;21.02,-10.26,;19.75,-12.62,;21.09,-13.38,;21.11,-14.92,;22.45,-15.68,;22.46,-17.22,;23.79,-17.98,;25.12,-17.19,;23.8,-19.51,;18.45,-13.44,;17.09,-12.72,;15.79,-13.54,;15.7,-12,;14.37,-11.22,;14.4,-9.67,;13.07,-8.89,;11.72,-9.65,;11.71,-11.2,;13.04,-11.98,;14.42,-12.83,;13.12,-13.66,;11.75,-12.95,;13.19,-15.21,;14.56,-15.91,;15.85,-15.09,;17.21,-15.8,;18.52,-14.98,;19.89,-15.71,;11.89,-16.04,;10.52,-15.32,;10.45,-13.78,;9.22,-16.16,;9.29,-17.7,;7.98,-18.54,;7.9,-20.07,;6.41,-20.47,;5.59,-19.17,;6.56,-17.98,;7.84,-15.45,;7.77,-13.9,;9.07,-13.07,;6.38,-13.18,;6.39,-11.64,;5.07,-10.85,;7.49,-4.4,;8.81,-3.6,;8.77,-2.07,;10.1,-1.28,;10.08,.27,;8.73,1,;11.4,1.05,;11.36,2.59,;12.68,3.39,;14.03,2.65,;15.35,3.44,;15.3,4.99,;13.96,5.73,;12.64,4.93,;12.75,.31,;12.78,-1.22,;11.43,-1.96,;7.47,-1.27,;6.12,-2.02,;7.5,.27,;6.19,1.07,;4.84,.33,;3.52,1.13,;3.56,2.66,;2.25,3.46,;.9,2.73,;-.42,3.52,;.87,1.18,;2.18,.39,;6.22,2.61,;4.91,3.41,;7.57,3.35,;5.06,-13.97,;3.71,-13.22,;3.69,-11.68,;2.39,-14.01,;1.05,-13.26,;2.41,-15.55,;1.09,-16.33,;-.25,-15.58,;-1.57,-16.37,;-1.55,-17.9,;-2.87,-18.69,;-.2,-18.66,;1.12,-17.87,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 2.73E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50339350
((R)-trans-(2R,5S,8S,11S,14S,17S,20R,25R,28R,31S)-3...)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)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)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:27.29,13.13,1.0,76.81,90.96,wD:5.5,58.61,67.109,48.51,38.40,72.93,105.113,(14.42,-13.56,;13.1,-12.77,;13.11,-11.22,;14.46,-10.47,;15.78,-11.26,;14.48,-8.94,;13.15,-8.14,;11.8,-8.9,;11.79,-10.44,;10.48,-8.11,;15.82,-8.18,;15.84,-6.63,;14.52,-5.85,;17.18,-5.88,;18.51,-6.67,;18.49,-8.21,;17.24,-9.1,;17.69,-10.58,;19.23,-10.6,;20.25,-11.75,;21.77,-11.46,;22.27,-9.99,;21.25,-8.83,;19.73,-9.13,;17.21,-4.34,;18.55,-3.58,;19.87,-4.38,;18.57,-2.05,;19.9,-1.26,;19.88,.28,;21.22,1.06,;21.2,2.6,;22.53,3.39,;23.87,2.62,;22.52,4.93,;17.24,-1.28,;15.89,-2.04,;15.88,-3.59,;14.56,-1.27,;14.57,.28,;15.9,1.03,;17.22,.26,;18.56,1.01,;18.56,2.55,;17.23,3.33,;15.9,2.56,;13.21,-2.03,;11.88,-1.25,;10.54,-2.02,;10.53,-.48,;11.79,.41,;13.24,-.08,;14.16,1.15,;13.27,2.41,;11.8,1.95,;9.21,-1.24,;7.87,-2.02,;6.54,-1.26,;7.87,-3.56,;9.21,-4.33,;10.53,-3.56,;11.86,-4.34,;13.2,-3.57,;14.54,-4.36,;6.54,-4.34,;5.21,-3.58,;5.2,-2.04,;3.87,-4.36,;3.88,-5.9,;5.22,-6.65,;6.27,-10.52,;7.59,-11.31,;7.57,-12.85,;8.94,-13.57,;8.99,-15.11,;7.69,-15.93,;10.37,-15.82,;10.32,-17.37,;11.63,-18.17,;12.99,-17.43,;14.3,-18.24,;14.26,-19.79,;12.91,-20.52,;11.59,-19.71,;11.72,-15.07,;11.75,-13.52,;10.42,-12.73,;6.25,-13.63,;6.27,-15.17,;4.9,-12.88,;3.58,-13.66,;3.6,-15.2,;2.27,-15.98,;.94,-15.22,;-.39,-16,;-.37,-17.54,;-1.69,-18.33,;.98,-18.3,;2.3,-17.51,;2.24,-12.91,;.92,-13.69,;2.22,-11.37,;2.54,-3.59,;1.21,-4.37,;1.22,-5.91,;-.12,-3.61,;-.13,-2.07,;-1.46,-4.39,;-2.79,-3.62,;-2.79,-2.08,;-4.12,-1.32,;-5.45,-2.1,;-6.79,-1.33,;-5.44,-3.64,;-4.1,-4.39,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(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)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,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 | 350 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50339343
((S)-cis-(2R,5S,8S,11S,14S,17S,20R,25R,28S,31S)-31-...)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)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)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:27.29,13.13,1.0,76.81,58.61,90.96,wD:5.5,67.109,48.51,38.40,72.93,105.113,(16.35,-42.78,;15.03,-41.99,;15.05,-40.44,;16.39,-39.69,;17.71,-40.47,;16.41,-38.16,;15.08,-37.36,;13.74,-38.12,;13.72,-39.66,;12.42,-37.32,;17.75,-37.4,;17.77,-35.85,;16.45,-35.07,;19.12,-35.1,;20.44,-35.89,;20.43,-37.42,;19.17,-38.32,;19.63,-39.8,;21.17,-39.82,;22.19,-40.97,;23.71,-40.67,;24.21,-39.21,;23.19,-38.05,;21.67,-38.35,;19.15,-33.56,;20.48,-32.8,;21.81,-33.59,;20.51,-31.26,;21.83,-30.48,;21.82,-28.93,;23.15,-28.16,;23.14,-26.62,;24.46,-25.83,;25.81,-26.59,;24.46,-24.29,;19.17,-30.49,;17.82,-31.26,;17.82,-32.8,;16.49,-30.49,;16.5,-28.94,;17.83,-28.18,;19.16,-28.96,;20.49,-28.2,;20.5,-26.66,;19.17,-25.88,;17.83,-26.65,;15.14,-31.25,;13.81,-30.47,;12.47,-31.23,;12.46,-29.69,;13.72,-28.81,;15.17,-29.3,;16.09,-28.06,;15.21,-26.81,;13.74,-27.26,;11.14,-30.46,;9.81,-31.23,;8.47,-30.47,;9.81,-32.78,;11.14,-33.55,;12.46,-32.78,;13.8,-33.56,;15.14,-32.79,;16.48,-33.58,;8.47,-33.56,;7.14,-32.8,;7.13,-31.26,;5.81,-33.58,;5.82,-35.11,;7.16,-35.87,;8.21,-39.74,;9.53,-40.52,;9.5,-42.06,;10.87,-42.79,;10.92,-44.33,;9.62,-45.15,;12.3,-45.03,;12.25,-46.58,;13.57,-47.38,;14.93,-46.65,;16.24,-47.46,;16.2,-49,;14.84,-49.74,;13.52,-48.93,;13.66,-44.28,;13.68,-42.74,;12.36,-41.95,;8.18,-42.85,;8.2,-44.39,;6.84,-42.09,;5.52,-42.88,;5.54,-44.42,;4.21,-45.2,;2.88,-44.44,;1.55,-45.22,;1.57,-46.76,;.25,-47.55,;2.92,-47.52,;4.23,-46.73,;4.17,-42.12,;2.85,-42.91,;4.16,-40.59,;4.48,-32.81,;3.14,-33.59,;3.15,-35.13,;1.81,-32.82,;1.8,-31.29,;.48,-33.6,;-.85,-32.84,;-.85,-31.3,;-2.18,-30.54,;-3.52,-31.32,;-4.85,-30.55,;-3.5,-32.86,;-2.17,-33.61,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(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)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,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 | 3.06E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50339345
((S)-cis-(2S,5S,8S,11S,14S,17S,22R,25S,28S,31R)-25-...)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)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)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:5.5,72.93,48.50,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,57.61,105.113,(15.4,-29.67,;14.08,-30.48,;14.12,-32.01,;15.48,-32.75,;16.79,-31.94,;15.52,-34.28,;14.2,-35.09,;12.85,-34.35,;12.81,-32.82,;11.54,-35.16,;16.87,-35.03,;16.9,-36.56,;15.59,-37.37,;18.25,-37.3,;19.57,-36.49,;19.53,-34.96,;18.26,-34.08,;18.7,-32.61,;20.24,-32.56,;21.24,-31.39,;22.76,-31.67,;23.27,-33.13,;22.27,-34.3,;20.76,-34.02,;18.3,-38.83,;19.65,-39.57,;20.96,-38.77,;19.7,-41.13,;21.04,-41.89,;21.05,-43.43,;22.39,-44.19,;22.4,-45.73,;23.73,-46.49,;25.06,-45.71,;23.74,-48.02,;18.4,-41.95,;17.03,-41.23,;15.73,-42.05,;15.65,-40.51,;14.31,-39.73,;14.34,-38.18,;13.01,-37.4,;11.66,-38.16,;11.65,-39.71,;12.98,-40.49,;14.36,-41.34,;13.06,-42.17,;11.69,-41.46,;13.13,-43.72,;14.5,-44.42,;15.79,-43.6,;17.15,-44.31,;18.46,-43.49,;19.83,-44.22,;11.84,-44.55,;10.46,-43.83,;10.39,-42.29,;9.16,-44.67,;9.23,-46.22,;7.92,-47.05,;7.84,-48.58,;6.35,-48.98,;5.53,-47.68,;6.5,-46.49,;7.78,-43.96,;7.71,-42.41,;9.01,-41.58,;6.32,-41.69,;6.33,-40.15,;5.01,-39.36,;7.43,-32.91,;8.75,-32.11,;8.71,-30.58,;10.04,-29.79,;10.02,-28.24,;8.67,-27.51,;11.34,-27.46,;11.3,-25.92,;12.62,-25.12,;13.97,-25.86,;15.29,-25.07,;15.24,-23.52,;13.9,-22.78,;12.58,-23.58,;12.69,-28.2,;12.72,-29.73,;11.37,-30.47,;7.41,-29.78,;6.06,-30.53,;7.44,-28.24,;6.13,-27.44,;4.78,-28.18,;3.46,-27.38,;3.5,-25.84,;2.19,-25.05,;.84,-25.78,;-.48,-24.99,;.81,-27.33,;2.12,-28.12,;6.16,-25.9,;4.85,-25.1,;7.51,-25.16,;5,-42.48,;3.65,-41.73,;3.63,-40.19,;2.33,-42.52,;.99,-41.77,;2.35,-44.06,;1.03,-44.84,;-.31,-44.09,;-1.63,-44.88,;-1.61,-46.42,;-2.93,-47.2,;-.26,-47.17,;1.06,-46.38,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,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 | 3.21E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
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 | 495 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50339344
((R)-trans-(2S,5S,8S,11S,14S,17S,22R,25S,28R,31R)-2...)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)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)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:5.5,72.93,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,48.50,57.61,105.113,(15.46,-1.16,;14.14,-1.97,;14.18,-3.5,;15.53,-4.24,;16.85,-3.43,;15.58,-5.77,;14.26,-6.58,;12.91,-5.84,;12.87,-4.31,;11.6,-6.65,;16.93,-6.52,;16.96,-8.05,;15.65,-8.86,;18.31,-8.79,;19.63,-7.98,;19.59,-6.45,;18.32,-5.57,;18.76,-4.1,;20.3,-4.05,;21.3,-2.88,;22.82,-3.16,;23.33,-4.62,;22.33,-5.79,;20.82,-5.51,;18.36,-10.32,;19.71,-11.06,;21.02,-10.26,;19.75,-12.62,;21.09,-13.38,;21.11,-14.92,;22.45,-15.68,;22.46,-17.22,;23.79,-17.98,;25.12,-17.19,;23.8,-19.51,;18.45,-13.44,;17.09,-12.72,;15.79,-13.54,;15.7,-12,;14.37,-11.22,;14.4,-9.67,;13.07,-8.89,;11.72,-9.65,;11.71,-11.2,;13.04,-11.98,;14.42,-12.83,;13.12,-13.66,;11.75,-12.95,;13.19,-15.21,;14.56,-15.91,;15.85,-15.09,;17.21,-15.8,;18.52,-14.98,;19.89,-15.71,;11.89,-16.04,;10.52,-15.32,;10.45,-13.78,;9.22,-16.16,;9.29,-17.7,;7.98,-18.54,;7.9,-20.07,;6.41,-20.47,;5.59,-19.17,;6.56,-17.98,;7.84,-15.45,;7.77,-13.9,;9.07,-13.07,;6.38,-13.18,;6.39,-11.64,;5.07,-10.85,;7.49,-4.4,;8.81,-3.6,;8.77,-2.07,;10.1,-1.28,;10.08,.27,;8.73,1,;11.4,1.05,;11.36,2.59,;12.68,3.39,;14.03,2.65,;15.35,3.44,;15.3,4.99,;13.96,5.73,;12.64,4.93,;12.75,.31,;12.78,-1.22,;11.43,-1.96,;7.47,-1.27,;6.12,-2.02,;7.5,.27,;6.19,1.07,;4.84,.33,;3.52,1.13,;3.56,2.66,;2.25,3.46,;.9,2.73,;-.42,3.52,;.87,1.18,;2.18,.39,;6.22,2.61,;4.91,3.41,;7.57,3.35,;5.06,-13.97,;3.71,-13.22,;3.69,-11.68,;2.39,-14.01,;1.05,-13.26,;2.41,-15.55,;1.09,-16.33,;-.25,-15.58,;-1.57,-16.37,;-1.55,-17.9,;-2.87,-18.69,;-.2,-18.66,;1.12,-17.87,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,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 | 540 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50339346
((R)-trans-(2S,5S,8S,11S,14R,19R,22S,25R,28R,31S)-2...)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:1.0,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,37.38,26.28,90.96,105.113,(13.98,-2.99,;15.3,-2.22,;16.62,-2.98,;16.62,-4.5,;15.31,-5.27,;17.94,-5.26,;19.26,-4.5,;19.26,-2.98,;17.94,-2.21,;20.58,-2.21,;17.95,-6.79,;19.28,-7.53,;20.59,-6.77,;19.29,-9.07,;20.8,-9.31,;21.35,-10.73,;20.53,-12.02,;21.5,-13.2,;22.92,-12.64,;24.28,-13.33,;25.55,-12.49,;25.46,-10.96,;24.1,-10.28,;22.83,-11.11,;17.97,-9.85,;16.62,-9.13,;15.33,-9.95,;15.25,-8.42,;13.88,-7.66,;13.87,-6.09,;12.5,-5.32,;11.16,-6.12,;9.8,-5.35,;11.18,-7.69,;13.98,-9.24,;12.69,-10.07,;11.34,-9.36,;12.76,-11.6,;14.11,-12.3,;15.4,-11.48,;16.73,-12.19,;18.03,-11.38,;19.41,-12.11,;11.48,-12.43,;10.09,-11.71,;10,-10.15,;8.76,-12.55,;8.73,-14.12,;10.1,-14.87,;10.12,-16.44,;11.48,-17.2,;12.82,-16.4,;12.8,-14.82,;11.43,-14.07,;7.37,-11.81,;6.07,-12.7,;6.12,-14.27,;4.75,-11.9,;3.5,-12.79,;3.49,-14.32,;2.24,-15.19,;2.7,-16.65,;4.22,-16.66,;4.71,-15.22,;4.77,-10.37,;3.46,-9.57,;2.12,-10.31,;3.49,-8.03,;4.87,-7.3,;4.93,-5.73,;12.79,-2.24,;12.76,-.68,;11.39,.08,;11.36,1.61,;12.67,2.4,;12.67,3.96,;13.97,1.6,;15.27,2.4,;15.24,3.92,;13.9,4.65,;13.86,6.17,;15.17,6.96,;16.5,6.24,;16.54,4.71,;13.98,.06,;15.3,-.68,;16.57,.14,;10.04,-.73,;10.07,-2.3,;8.68,.03,;7.33,-.78,;5.96,-.03,;5.93,1.55,;7.28,2.35,;7.25,3.91,;5.88,4.67,;5.85,6.23,;4.53,3.86,;4.57,2.29,;7.36,-2.35,;8.73,-3.1,;6.02,-3.15,;2.16,-7.2,;2.2,-5.64,;3.58,-4.89,;.88,-4.82,;.92,-3.26,;-.51,-5.56,;-1.84,-4.73,;-1.78,-3.17,;-3.11,-2.35,;-4.49,-3.09,;-5.83,-2.27,;-4.54,-4.67,;-3.2,-5.48,)| 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 | 33 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
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 | 2.30 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50339349
((S)-2-acetamido-N-((R)-1-((6S,9S)-4-((S)-1-amino-3...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N(C[C@H](CCCN=C(N)N)NC1=O)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:44.46,25.26,14.14,wD:33.35,4.3,(25.64,-3.74,;25.64,-5.28,;26.98,-6.06,;24.31,-6.06,;24.31,-7.6,;22.97,-8.37,;21.64,-7.6,;20.23,-8.23,;19.2,-7.09,;19.96,-5.75,;21.47,-6.07,;25.65,-8.36,;26.98,-7.6,;25.65,-9.91,;26.98,-10.68,;26.99,-12.22,;25.65,-12.99,;24.32,-12.22,;22.99,-12.99,;22.99,-14.53,;24.33,-15.3,;25.66,-14.52,;28.32,-9.9,;28.32,-8.36,;29.65,-10.67,;30.98,-9.9,;32.31,-10.67,;33.64,-9.9,;34.96,-10.67,;36.3,-9.91,;37.63,-10.69,;36.31,-8.37,;34.97,-7.59,;33.64,-8.36,;33.63,-6.82,;32.29,-6.06,;32.27,-4.52,;30.93,-3.76,;30.92,-2.22,;29.59,-1.46,;32.25,-1.44,;32.31,-7.58,;30.98,-8.36,;29.65,-7.59,;37.65,-7.61,;37.65,-6.07,;38.99,-5.3,;40.4,-5.93,;41.43,-4.79,;40.67,-3.46,;41.15,-2,;40.13,-.85,;38.61,-1.17,;38.14,-2.62,;39.16,-3.76,;38.98,-8.38,;40.32,-7.62,;38.97,-9.92,)| Show InChI InChI=1S/C39H50N12O6S/c1-23(52)47-31(16-27-18-43-22-46-27)37(56)49-30(14-24-8-3-2-4-9-24)36(55)50-32-20-58-21-34(53)51(19-26(48-38(32)57)10-7-13-44-39(41)42)33(35(40)54)15-25-17-45-29-12-6-5-11-28(25)29/h2-6,8-9,11-12,17-18,22,26,30-33,45H,7,10,13-16,19-21H2,1H3,(H2,40,54)(H,43,46)(H,47,52)(H,48,57)(H,49,56)(H,50,55)(H4,41,42,44)/t26-,30+,31-,32+,33-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 335 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50339350
((R)-trans-(2R,5S,8S,11S,14S,17S,20R,25R,28R,31S)-3...)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)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)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:27.29,13.13,1.0,76.81,90.96,wD:5.5,58.61,67.109,48.51,38.40,72.93,105.113,(14.42,-13.56,;13.1,-12.77,;13.11,-11.22,;14.46,-10.47,;15.78,-11.26,;14.48,-8.94,;13.15,-8.14,;11.8,-8.9,;11.79,-10.44,;10.48,-8.11,;15.82,-8.18,;15.84,-6.63,;14.52,-5.85,;17.18,-5.88,;18.51,-6.67,;18.49,-8.21,;17.24,-9.1,;17.69,-10.58,;19.23,-10.6,;20.25,-11.75,;21.77,-11.46,;22.27,-9.99,;21.25,-8.83,;19.73,-9.13,;17.21,-4.34,;18.55,-3.58,;19.87,-4.38,;18.57,-2.05,;19.9,-1.26,;19.88,.28,;21.22,1.06,;21.2,2.6,;22.53,3.39,;23.87,2.62,;22.52,4.93,;17.24,-1.28,;15.89,-2.04,;15.88,-3.59,;14.56,-1.27,;14.57,.28,;15.9,1.03,;17.22,.26,;18.56,1.01,;18.56,2.55,;17.23,3.33,;15.9,2.56,;13.21,-2.03,;11.88,-1.25,;10.54,-2.02,;10.53,-.48,;11.79,.41,;13.24,-.08,;14.16,1.15,;13.27,2.41,;11.8,1.95,;9.21,-1.24,;7.87,-2.02,;6.54,-1.26,;7.87,-3.56,;9.21,-4.33,;10.53,-3.56,;11.86,-4.34,;13.2,-3.57,;14.54,-4.36,;6.54,-4.34,;5.21,-3.58,;5.2,-2.04,;3.87,-4.36,;3.88,-5.9,;5.22,-6.65,;6.27,-10.52,;7.59,-11.31,;7.57,-12.85,;8.94,-13.57,;8.99,-15.11,;7.69,-15.93,;10.37,-15.82,;10.32,-17.37,;11.63,-18.17,;12.99,-17.43,;14.3,-18.24,;14.26,-19.79,;12.91,-20.52,;11.59,-19.71,;11.72,-15.07,;11.75,-13.52,;10.42,-12.73,;6.25,-13.63,;6.27,-15.17,;4.9,-12.88,;3.58,-13.66,;3.6,-15.2,;2.27,-15.98,;.94,-15.22,;-.39,-16,;-.37,-17.54,;-1.69,-18.33,;.98,-18.3,;2.3,-17.51,;2.24,-12.91,;.92,-13.69,;2.22,-11.37,;2.54,-3.59,;1.21,-4.37,;1.22,-5.91,;-.12,-3.61,;-.13,-2.07,;-1.46,-4.39,;-2.79,-3.62,;-2.79,-2.08,;-4.12,-1.32,;-5.45,-2.1,;-6.79,-1.33,;-5.44,-3.64,;-4.1,-4.39,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(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)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,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 | 305 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50339343
((S)-cis-(2R,5S,8S,11S,14S,17S,20R,25R,28S,31S)-31-...)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)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)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:27.29,13.13,1.0,76.81,58.61,90.96,wD:5.5,67.109,48.51,38.40,72.93,105.113,(16.35,-42.78,;15.03,-41.99,;15.05,-40.44,;16.39,-39.69,;17.71,-40.47,;16.41,-38.16,;15.08,-37.36,;13.74,-38.12,;13.72,-39.66,;12.42,-37.32,;17.75,-37.4,;17.77,-35.85,;16.45,-35.07,;19.12,-35.1,;20.44,-35.89,;20.43,-37.42,;19.17,-38.32,;19.63,-39.8,;21.17,-39.82,;22.19,-40.97,;23.71,-40.67,;24.21,-39.21,;23.19,-38.05,;21.67,-38.35,;19.15,-33.56,;20.48,-32.8,;21.81,-33.59,;20.51,-31.26,;21.83,-30.48,;21.82,-28.93,;23.15,-28.16,;23.14,-26.62,;24.46,-25.83,;25.81,-26.59,;24.46,-24.29,;19.17,-30.49,;17.82,-31.26,;17.82,-32.8,;16.49,-30.49,;16.5,-28.94,;17.83,-28.18,;19.16,-28.96,;20.49,-28.2,;20.5,-26.66,;19.17,-25.88,;17.83,-26.65,;15.14,-31.25,;13.81,-30.47,;12.47,-31.23,;12.46,-29.69,;13.72,-28.81,;15.17,-29.3,;16.09,-28.06,;15.21,-26.81,;13.74,-27.26,;11.14,-30.46,;9.81,-31.23,;8.47,-30.47,;9.81,-32.78,;11.14,-33.55,;12.46,-32.78,;13.8,-33.56,;15.14,-32.79,;16.48,-33.58,;8.47,-33.56,;7.14,-32.8,;7.13,-31.26,;5.81,-33.58,;5.82,-35.11,;7.16,-35.87,;8.21,-39.74,;9.53,-40.52,;9.5,-42.06,;10.87,-42.79,;10.92,-44.33,;9.62,-45.15,;12.3,-45.03,;12.25,-46.58,;13.57,-47.38,;14.93,-46.65,;16.24,-47.46,;16.2,-49,;14.84,-49.74,;13.52,-48.93,;13.66,-44.28,;13.68,-42.74,;12.36,-41.95,;8.18,-42.85,;8.2,-44.39,;6.84,-42.09,;5.52,-42.88,;5.54,-44.42,;4.21,-45.2,;2.88,-44.44,;1.55,-45.22,;1.57,-46.76,;.25,-47.55,;2.92,-47.52,;4.23,-46.73,;4.17,-42.12,;2.85,-42.91,;4.16,-40.59,;4.48,-32.81,;3.14,-33.59,;3.15,-35.13,;1.81,-32.82,;1.8,-31.29,;.48,-33.6,;-.85,-32.84,;-.85,-31.3,;-2.18,-30.54,;-3.52,-31.32,;-4.85,-30.55,;-3.5,-32.86,;-2.17,-33.61,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(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)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,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 | 390 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50339344
((R)-trans-(2S,5S,8S,11S,14S,17S,22R,25S,28R,31R)-2...)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)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)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:5.5,72.93,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,48.50,57.61,105.113,(15.46,-1.16,;14.14,-1.97,;14.18,-3.5,;15.53,-4.24,;16.85,-3.43,;15.58,-5.77,;14.26,-6.58,;12.91,-5.84,;12.87,-4.31,;11.6,-6.65,;16.93,-6.52,;16.96,-8.05,;15.65,-8.86,;18.31,-8.79,;19.63,-7.98,;19.59,-6.45,;18.32,-5.57,;18.76,-4.1,;20.3,-4.05,;21.3,-2.88,;22.82,-3.16,;23.33,-4.62,;22.33,-5.79,;20.82,-5.51,;18.36,-10.32,;19.71,-11.06,;21.02,-10.26,;19.75,-12.62,;21.09,-13.38,;21.11,-14.92,;22.45,-15.68,;22.46,-17.22,;23.79,-17.98,;25.12,-17.19,;23.8,-19.51,;18.45,-13.44,;17.09,-12.72,;15.79,-13.54,;15.7,-12,;14.37,-11.22,;14.4,-9.67,;13.07,-8.89,;11.72,-9.65,;11.71,-11.2,;13.04,-11.98,;14.42,-12.83,;13.12,-13.66,;11.75,-12.95,;13.19,-15.21,;14.56,-15.91,;15.85,-15.09,;17.21,-15.8,;18.52,-14.98,;19.89,-15.71,;11.89,-16.04,;10.52,-15.32,;10.45,-13.78,;9.22,-16.16,;9.29,-17.7,;7.98,-18.54,;7.9,-20.07,;6.41,-20.47,;5.59,-19.17,;6.56,-17.98,;7.84,-15.45,;7.77,-13.9,;9.07,-13.07,;6.38,-13.18,;6.39,-11.64,;5.07,-10.85,;7.49,-4.4,;8.81,-3.6,;8.77,-2.07,;10.1,-1.28,;10.08,.27,;8.73,1,;11.4,1.05,;11.36,2.59,;12.68,3.39,;14.03,2.65,;15.35,3.44,;15.3,4.99,;13.96,5.73,;12.64,4.93,;12.75,.31,;12.78,-1.22,;11.43,-1.96,;7.47,-1.27,;6.12,-2.02,;7.5,.27,;6.19,1.07,;4.84,.33,;3.52,1.13,;3.56,2.66,;2.25,3.46,;.9,2.73,;-.42,3.52,;.87,1.18,;2.18,.39,;6.22,2.61,;4.91,3.41,;7.57,3.35,;5.06,-13.97,;3.71,-13.22,;3.69,-11.68,;2.39,-14.01,;1.05,-13.26,;2.41,-15.55,;1.09,-16.33,;-.25,-15.58,;-1.57,-16.37,;-1.55,-17.9,;-2.87,-18.69,;-.2,-18.66,;1.12,-17.87,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,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 | 1.60E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50339345
((S)-cis-(2S,5S,8S,11S,14S,17S,22R,25S,28S,31R)-25-...)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)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)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:5.5,72.93,48.50,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,57.61,105.113,(15.4,-29.67,;14.08,-30.48,;14.12,-32.01,;15.48,-32.75,;16.79,-31.94,;15.52,-34.28,;14.2,-35.09,;12.85,-34.35,;12.81,-32.82,;11.54,-35.16,;16.87,-35.03,;16.9,-36.56,;15.59,-37.37,;18.25,-37.3,;19.57,-36.49,;19.53,-34.96,;18.26,-34.08,;18.7,-32.61,;20.24,-32.56,;21.24,-31.39,;22.76,-31.67,;23.27,-33.13,;22.27,-34.3,;20.76,-34.02,;18.3,-38.83,;19.65,-39.57,;20.96,-38.77,;19.7,-41.13,;21.04,-41.89,;21.05,-43.43,;22.39,-44.19,;22.4,-45.73,;23.73,-46.49,;25.06,-45.71,;23.74,-48.02,;18.4,-41.95,;17.03,-41.23,;15.73,-42.05,;15.65,-40.51,;14.31,-39.73,;14.34,-38.18,;13.01,-37.4,;11.66,-38.16,;11.65,-39.71,;12.98,-40.49,;14.36,-41.34,;13.06,-42.17,;11.69,-41.46,;13.13,-43.72,;14.5,-44.42,;15.79,-43.6,;17.15,-44.31,;18.46,-43.49,;19.83,-44.22,;11.84,-44.55,;10.46,-43.83,;10.39,-42.29,;9.16,-44.67,;9.23,-46.22,;7.92,-47.05,;7.84,-48.58,;6.35,-48.98,;5.53,-47.68,;6.5,-46.49,;7.78,-43.96,;7.71,-42.41,;9.01,-41.58,;6.32,-41.69,;6.33,-40.15,;5.01,-39.36,;7.43,-32.91,;8.75,-32.11,;8.71,-30.58,;10.04,-29.79,;10.02,-28.24,;8.67,-27.51,;11.34,-27.46,;11.3,-25.92,;12.62,-25.12,;13.97,-25.86,;15.29,-25.07,;15.24,-23.52,;13.9,-22.78,;12.58,-23.58,;12.69,-28.2,;12.72,-29.73,;11.37,-30.47,;7.41,-29.78,;6.06,-30.53,;7.44,-28.24,;6.13,-27.44,;4.78,-28.18,;3.46,-27.38,;3.5,-25.84,;2.19,-25.05,;.84,-25.78,;-.48,-24.99,;.81,-27.33,;2.12,-28.12,;6.16,-25.9,;4.85,-25.1,;7.51,-25.16,;5,-42.48,;3.65,-41.73,;3.63,-40.19,;2.33,-42.52,;.99,-41.77,;2.35,-44.06,;1.03,-44.84,;-.31,-44.09,;-1.63,-44.88,;-1.61,-46.42,;-2.93,-47.2,;-.26,-47.17,;1.06,-46.38,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,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 | 990 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50339346
((R)-trans-(2S,5S,8S,11S,14R,19R,22S,25R,28R,31S)-2...)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:1.0,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,37.38,26.28,90.96,105.113,(13.98,-2.99,;15.3,-2.22,;16.62,-2.98,;16.62,-4.5,;15.31,-5.27,;17.94,-5.26,;19.26,-4.5,;19.26,-2.98,;17.94,-2.21,;20.58,-2.21,;17.95,-6.79,;19.28,-7.53,;20.59,-6.77,;19.29,-9.07,;20.8,-9.31,;21.35,-10.73,;20.53,-12.02,;21.5,-13.2,;22.92,-12.64,;24.28,-13.33,;25.55,-12.49,;25.46,-10.96,;24.1,-10.28,;22.83,-11.11,;17.97,-9.85,;16.62,-9.13,;15.33,-9.95,;15.25,-8.42,;13.88,-7.66,;13.87,-6.09,;12.5,-5.32,;11.16,-6.12,;9.8,-5.35,;11.18,-7.69,;13.98,-9.24,;12.69,-10.07,;11.34,-9.36,;12.76,-11.6,;14.11,-12.3,;15.4,-11.48,;16.73,-12.19,;18.03,-11.38,;19.41,-12.11,;11.48,-12.43,;10.09,-11.71,;10,-10.15,;8.76,-12.55,;8.73,-14.12,;10.1,-14.87,;10.12,-16.44,;11.48,-17.2,;12.82,-16.4,;12.8,-14.82,;11.43,-14.07,;7.37,-11.81,;6.07,-12.7,;6.12,-14.27,;4.75,-11.9,;3.5,-12.79,;3.49,-14.32,;2.24,-15.19,;2.7,-16.65,;4.22,-16.66,;4.71,-15.22,;4.77,-10.37,;3.46,-9.57,;2.12,-10.31,;3.49,-8.03,;4.87,-7.3,;4.93,-5.73,;12.79,-2.24,;12.76,-.68,;11.39,.08,;11.36,1.61,;12.67,2.4,;12.67,3.96,;13.97,1.6,;15.27,2.4,;15.24,3.92,;13.9,4.65,;13.86,6.17,;15.17,6.96,;16.5,6.24,;16.54,4.71,;13.98,.06,;15.3,-.68,;16.57,.14,;10.04,-.73,;10.07,-2.3,;8.68,.03,;7.33,-.78,;5.96,-.03,;5.93,1.55,;7.28,2.35,;7.25,3.91,;5.88,4.67,;5.85,6.23,;4.53,3.86,;4.57,2.29,;7.36,-2.35,;8.73,-3.1,;6.02,-3.15,;2.16,-7.2,;2.2,-5.64,;3.58,-4.89,;.88,-4.82,;.92,-3.26,;-.51,-5.56,;-1.84,-4.73,;-1.78,-3.17,;-3.11,-2.35,;-4.49,-3.09,;-5.83,-2.27,;-4.54,-4.67,;-3.2,-5.48,)| 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 | 72 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
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 | 925 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
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 | 2 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50339349
((S)-2-acetamido-N-((R)-1-((6S,9S)-4-((S)-1-amino-3...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N(C[C@H](CCCN=C(N)N)NC1=O)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:44.46,25.26,14.14,wD:33.35,4.3,(25.64,-3.74,;25.64,-5.28,;26.98,-6.06,;24.31,-6.06,;24.31,-7.6,;22.97,-8.37,;21.64,-7.6,;20.23,-8.23,;19.2,-7.09,;19.96,-5.75,;21.47,-6.07,;25.65,-8.36,;26.98,-7.6,;25.65,-9.91,;26.98,-10.68,;26.99,-12.22,;25.65,-12.99,;24.32,-12.22,;22.99,-12.99,;22.99,-14.53,;24.33,-15.3,;25.66,-14.52,;28.32,-9.9,;28.32,-8.36,;29.65,-10.67,;30.98,-9.9,;32.31,-10.67,;33.64,-9.9,;34.96,-10.67,;36.3,-9.91,;37.63,-10.69,;36.31,-8.37,;34.97,-7.59,;33.64,-8.36,;33.63,-6.82,;32.29,-6.06,;32.27,-4.52,;30.93,-3.76,;30.92,-2.22,;29.59,-1.46,;32.25,-1.44,;32.31,-7.58,;30.98,-8.36,;29.65,-7.59,;37.65,-7.61,;37.65,-6.07,;38.99,-5.3,;40.4,-5.93,;41.43,-4.79,;40.67,-3.46,;41.15,-2,;40.13,-.85,;38.61,-1.17,;38.14,-2.62,;39.16,-3.76,;38.98,-8.38,;40.32,-7.62,;38.97,-9.92,)| Show InChI InChI=1S/C39H50N12O6S/c1-23(52)47-31(16-27-18-43-22-46-27)37(56)49-30(14-24-8-3-2-4-9-24)36(55)50-32-20-58-21-34(53)51(19-26(48-38(32)57)10-7-13-44-39(41)42)33(35(40)54)15-25-17-45-29-12-6-5-11-28(25)29/h2-6,8-9,11-12,17-18,22,26,30-33,45H,7,10,13-16,19-21H2,1H3,(H2,40,54)(H,43,46)(H,47,52)(H,48,57)(H,49,56)(H,50,55)(H4,41,42,44)/t26-,30+,31-,32+,33-/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 | 7.60E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50339350
((R)-trans-(2R,5S,8S,11S,14S,17S,20R,25R,28R,31S)-3...)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)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)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:27.29,13.13,1.0,76.81,90.96,wD:5.5,58.61,67.109,48.51,38.40,72.93,105.113,(14.42,-13.56,;13.1,-12.77,;13.11,-11.22,;14.46,-10.47,;15.78,-11.26,;14.48,-8.94,;13.15,-8.14,;11.8,-8.9,;11.79,-10.44,;10.48,-8.11,;15.82,-8.18,;15.84,-6.63,;14.52,-5.85,;17.18,-5.88,;18.51,-6.67,;18.49,-8.21,;17.24,-9.1,;17.69,-10.58,;19.23,-10.6,;20.25,-11.75,;21.77,-11.46,;22.27,-9.99,;21.25,-8.83,;19.73,-9.13,;17.21,-4.34,;18.55,-3.58,;19.87,-4.38,;18.57,-2.05,;19.9,-1.26,;19.88,.28,;21.22,1.06,;21.2,2.6,;22.53,3.39,;23.87,2.62,;22.52,4.93,;17.24,-1.28,;15.89,-2.04,;15.88,-3.59,;14.56,-1.27,;14.57,.28,;15.9,1.03,;17.22,.26,;18.56,1.01,;18.56,2.55,;17.23,3.33,;15.9,2.56,;13.21,-2.03,;11.88,-1.25,;10.54,-2.02,;10.53,-.48,;11.79,.41,;13.24,-.08,;14.16,1.15,;13.27,2.41,;11.8,1.95,;9.21,-1.24,;7.87,-2.02,;6.54,-1.26,;7.87,-3.56,;9.21,-4.33,;10.53,-3.56,;11.86,-4.34,;13.2,-3.57,;14.54,-4.36,;6.54,-4.34,;5.21,-3.58,;5.2,-2.04,;3.87,-4.36,;3.88,-5.9,;5.22,-6.65,;6.27,-10.52,;7.59,-11.31,;7.57,-12.85,;8.94,-13.57,;8.99,-15.11,;7.69,-15.93,;10.37,-15.82,;10.32,-17.37,;11.63,-18.17,;12.99,-17.43,;14.3,-18.24,;14.26,-19.79,;12.91,-20.52,;11.59,-19.71,;11.72,-15.07,;11.75,-13.52,;10.42,-12.73,;6.25,-13.63,;6.27,-15.17,;4.9,-12.88,;3.58,-13.66,;3.6,-15.2,;2.27,-15.98,;.94,-15.22,;-.39,-16,;-.37,-17.54,;-1.69,-18.33,;.98,-18.3,;2.3,-17.51,;2.24,-12.91,;.92,-13.69,;2.22,-11.37,;2.54,-3.59,;1.21,-4.37,;1.22,-5.91,;-.12,-3.61,;-.13,-2.07,;-1.46,-4.39,;-2.79,-3.62,;-2.79,-2.08,;-4.12,-1.32,;-5.45,-2.1,;-6.79,-1.33,;-5.44,-3.64,;-4.1,-4.39,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(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)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,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 | 3.90E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50339343
((S)-cis-(2R,5S,8S,11S,14S,17S,20R,25R,28S,31S)-31-...)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)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](CSCC2=O)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:27.29,13.13,1.0,76.81,58.61,90.96,wD:5.5,67.109,48.51,38.40,72.93,105.113,(16.35,-42.78,;15.03,-41.99,;15.05,-40.44,;16.39,-39.69,;17.71,-40.47,;16.41,-38.16,;15.08,-37.36,;13.74,-38.12,;13.72,-39.66,;12.42,-37.32,;17.75,-37.4,;17.77,-35.85,;16.45,-35.07,;19.12,-35.1,;20.44,-35.89,;20.43,-37.42,;19.17,-38.32,;19.63,-39.8,;21.17,-39.82,;22.19,-40.97,;23.71,-40.67,;24.21,-39.21,;23.19,-38.05,;21.67,-38.35,;19.15,-33.56,;20.48,-32.8,;21.81,-33.59,;20.51,-31.26,;21.83,-30.48,;21.82,-28.93,;23.15,-28.16,;23.14,-26.62,;24.46,-25.83,;25.81,-26.59,;24.46,-24.29,;19.17,-30.49,;17.82,-31.26,;17.82,-32.8,;16.49,-30.49,;16.5,-28.94,;17.83,-28.18,;19.16,-28.96,;20.49,-28.2,;20.5,-26.66,;19.17,-25.88,;17.83,-26.65,;15.14,-31.25,;13.81,-30.47,;12.47,-31.23,;12.46,-29.69,;13.72,-28.81,;15.17,-29.3,;16.09,-28.06,;15.21,-26.81,;13.74,-27.26,;11.14,-30.46,;9.81,-31.23,;8.47,-30.47,;9.81,-32.78,;11.14,-33.55,;12.46,-32.78,;13.8,-33.56,;15.14,-32.79,;16.48,-33.58,;8.47,-33.56,;7.14,-32.8,;7.13,-31.26,;5.81,-33.58,;5.82,-35.11,;7.16,-35.87,;8.21,-39.74,;9.53,-40.52,;9.5,-42.06,;10.87,-42.79,;10.92,-44.33,;9.62,-45.15,;12.3,-45.03,;12.25,-46.58,;13.57,-47.38,;14.93,-46.65,;16.24,-47.46,;16.2,-49,;14.84,-49.74,;13.52,-48.93,;13.66,-44.28,;13.68,-42.74,;12.36,-41.95,;8.18,-42.85,;8.2,-44.39,;6.84,-42.09,;5.52,-42.88,;5.54,-44.42,;4.21,-45.2,;2.88,-44.44,;1.55,-45.22,;1.57,-46.76,;.25,-47.55,;2.92,-47.52,;4.23,-46.73,;4.17,-42.12,;2.85,-42.91,;4.16,-40.59,;4.48,-32.81,;3.14,-33.59,;3.15,-35.13,;1.81,-32.82,;1.8,-31.29,;.48,-33.6,;-.85,-32.84,;-.85,-31.3,;-2.18,-30.54,;-3.52,-31.32,;-4.85,-30.55,;-3.5,-32.86,;-2.17,-33.61,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)91-57(29-43-11-4-2-5-12-43)71(107)96-62(74(110)90-56(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)95-60-37-113-40-65(101)97(36-49(88-73(60)109)32-48-35-83-41-86-48)63(30-44-13-6-3-7-14-44)76(112)89-55(17-10-26-84-77(81)82)69(105)92-58(31-47-34-85-54-16-9-8-15-52(47)54)72(108)93-59(33-64(79)100)70(106)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,106)(H,88,109)(H,89,112)(H,90,110)(H,91,103)(H,92,105)(H,93,108)(H,94,104)(H,95,111)(H,96,107)(H4,81,82,84)/t42-,49-,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 | >1.00E+5 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50339344
((R)-trans-(2S,5S,8S,11S,14S,17S,22R,25S,28R,31R)-2...)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)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)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:5.5,72.93,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,48.50,57.61,105.113,(15.46,-1.16,;14.14,-1.97,;14.18,-3.5,;15.53,-4.24,;16.85,-3.43,;15.58,-5.77,;14.26,-6.58,;12.91,-5.84,;12.87,-4.31,;11.6,-6.65,;16.93,-6.52,;16.96,-8.05,;15.65,-8.86,;18.31,-8.79,;19.63,-7.98,;19.59,-6.45,;18.32,-5.57,;18.76,-4.1,;20.3,-4.05,;21.3,-2.88,;22.82,-3.16,;23.33,-4.62,;22.33,-5.79,;20.82,-5.51,;18.36,-10.32,;19.71,-11.06,;21.02,-10.26,;19.75,-12.62,;21.09,-13.38,;21.11,-14.92,;22.45,-15.68,;22.46,-17.22,;23.79,-17.98,;25.12,-17.19,;23.8,-19.51,;18.45,-13.44,;17.09,-12.72,;15.79,-13.54,;15.7,-12,;14.37,-11.22,;14.4,-9.67,;13.07,-8.89,;11.72,-9.65,;11.71,-11.2,;13.04,-11.98,;14.42,-12.83,;13.12,-13.66,;11.75,-12.95,;13.19,-15.21,;14.56,-15.91,;15.85,-15.09,;17.21,-15.8,;18.52,-14.98,;19.89,-15.71,;11.89,-16.04,;10.52,-15.32,;10.45,-13.78,;9.22,-16.16,;9.29,-17.7,;7.98,-18.54,;7.9,-20.07,;6.41,-20.47,;5.59,-19.17,;6.56,-17.98,;7.84,-15.45,;7.77,-13.9,;9.07,-13.07,;6.38,-13.18,;6.39,-11.64,;5.07,-10.85,;7.49,-4.4,;8.81,-3.6,;8.77,-2.07,;10.1,-1.28,;10.08,.27,;8.73,1,;11.4,1.05,;11.36,2.59,;12.68,3.39,;14.03,2.65,;15.35,3.44,;15.3,4.99,;13.96,5.73,;12.64,4.93,;12.75,.31,;12.78,-1.22,;11.43,-1.96,;7.47,-1.27,;6.12,-2.02,;7.5,.27,;6.19,1.07,;4.84,.33,;3.52,1.13,;3.56,2.66,;2.25,3.46,;.9,2.73,;-.42,3.52,;.87,1.18,;2.18,.39,;6.22,2.61,;4.91,3.41,;7.57,3.35,;5.06,-13.97,;3.71,-13.22,;3.69,-11.68,;2.39,-14.01,;1.05,-13.26,;2.41,-15.55,;1.09,-16.33,;-.25,-15.58,;-1.57,-16.37,;-1.55,-17.9,;-2.87,-18.69,;-.2,-18.66,;1.12,-17.87,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,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 | >1.00E+5 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50339345
((S)-cis-(2S,5S,8S,11S,14S,17S,22R,25S,28S,31R)-25-...)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)N2C[C@@H](Cc3ccccc3)NC(=O)[C@@H](CSCC2=O)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:5.5,72.93,48.50,37.39,67.109,90.96,wD:27.29,13.13,1.0,76.81,57.61,105.113,(15.4,-29.67,;14.08,-30.48,;14.12,-32.01,;15.48,-32.75,;16.79,-31.94,;15.52,-34.28,;14.2,-35.09,;12.85,-34.35,;12.81,-32.82,;11.54,-35.16,;16.87,-35.03,;16.9,-36.56,;15.59,-37.37,;18.25,-37.3,;19.57,-36.49,;19.53,-34.96,;18.26,-34.08,;18.7,-32.61,;20.24,-32.56,;21.24,-31.39,;22.76,-31.67,;23.27,-33.13,;22.27,-34.3,;20.76,-34.02,;18.3,-38.83,;19.65,-39.57,;20.96,-38.77,;19.7,-41.13,;21.04,-41.89,;21.05,-43.43,;22.39,-44.19,;22.4,-45.73,;23.73,-46.49,;25.06,-45.71,;23.74,-48.02,;18.4,-41.95,;17.03,-41.23,;15.73,-42.05,;15.65,-40.51,;14.31,-39.73,;14.34,-38.18,;13.01,-37.4,;11.66,-38.16,;11.65,-39.71,;12.98,-40.49,;14.36,-41.34,;13.06,-42.17,;11.69,-41.46,;13.13,-43.72,;14.5,-44.42,;15.79,-43.6,;17.15,-44.31,;18.46,-43.49,;19.83,-44.22,;11.84,-44.55,;10.46,-43.83,;10.39,-42.29,;9.16,-44.67,;9.23,-46.22,;7.92,-47.05,;7.84,-48.58,;6.35,-48.98,;5.53,-47.68,;6.5,-46.49,;7.78,-43.96,;7.71,-42.41,;9.01,-41.58,;6.32,-41.69,;6.33,-40.15,;5.01,-39.36,;7.43,-32.91,;8.75,-32.11,;8.71,-30.58,;10.04,-29.79,;10.02,-28.24,;8.67,-27.51,;11.34,-27.46,;11.3,-25.92,;12.62,-25.12,;13.97,-25.86,;15.29,-25.07,;15.24,-23.52,;13.9,-22.78,;12.58,-23.58,;12.69,-28.2,;12.72,-29.73,;11.37,-30.47,;7.41,-29.78,;6.06,-30.53,;7.44,-28.24,;6.13,-27.44,;4.78,-28.18,;3.46,-27.38,;3.5,-25.84,;2.19,-25.05,;.84,-25.78,;-.48,-24.99,;.81,-27.33,;2.12,-28.12,;6.16,-25.9,;4.85,-25.1,;7.51,-25.16,;5,-42.48,;3.65,-41.73,;3.63,-40.19,;2.33,-42.52,;.99,-41.77,;2.35,-44.06,;1.03,-44.84,;-.31,-44.09,;-1.63,-44.88,;-1.61,-46.42,;-2.93,-47.2,;-.26,-47.17,;1.06,-46.38,)| Show InChI InChI=1S/C77H94N20O15S3/c1-42-67(103)90-56(30-44-13-6-3-7-14-44)70(106)96-62(74(110)89-55(66(80)102)29-46-20-24-51(99)25-21-46)39-115-114-38-61(94-68(104)53(78)28-45-18-22-50(98)23-19-45)75(111)91-58(32-48-35-83-41-86-48)72(108)95-60-37-113-40-65(101)97(36-49(88-73(60)109)27-43-11-4-2-5-12-43)63(17-10-26-84-77(81)82)76(112)93-57(31-47-34-85-54-16-9-8-15-52(47)54)71(107)92-59(33-64(79)100)69(105)87-42/h2-9,11-16,18-25,34-35,41-42,49,53,55-63,85,98-99H,10,17,26-33,36-40,78H2,1H3,(H2,79,100)(H2,80,102)(H,83,86)(H,87,105)(H,88,109)(H,89,110)(H,90,103)(H,91,111)(H,92,107)(H,93,112)(H,94,104)(H,95,108)(H,96,106)(H4,81,82,84)/t42-,49+,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 | 3.20E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50339346
((R)-trans-(2S,5S,8S,11S,14R,19R,22S,25R,28R,31S)-2...)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:1.0,46.49,67.109,72.93,wD:13.13,5.5,76.81,57.61,37.38,26.28,90.96,105.113,(13.98,-2.99,;15.3,-2.22,;16.62,-2.98,;16.62,-4.5,;15.31,-5.27,;17.94,-5.26,;19.26,-4.5,;19.26,-2.98,;17.94,-2.21,;20.58,-2.21,;17.95,-6.79,;19.28,-7.53,;20.59,-6.77,;19.29,-9.07,;20.8,-9.31,;21.35,-10.73,;20.53,-12.02,;21.5,-13.2,;22.92,-12.64,;24.28,-13.33,;25.55,-12.49,;25.46,-10.96,;24.1,-10.28,;22.83,-11.11,;17.97,-9.85,;16.62,-9.13,;15.33,-9.95,;15.25,-8.42,;13.88,-7.66,;13.87,-6.09,;12.5,-5.32,;11.16,-6.12,;9.8,-5.35,;11.18,-7.69,;13.98,-9.24,;12.69,-10.07,;11.34,-9.36,;12.76,-11.6,;14.11,-12.3,;15.4,-11.48,;16.73,-12.19,;18.03,-11.38,;19.41,-12.11,;11.48,-12.43,;10.09,-11.71,;10,-10.15,;8.76,-12.55,;8.73,-14.12,;10.1,-14.87,;10.12,-16.44,;11.48,-17.2,;12.82,-16.4,;12.8,-14.82,;11.43,-14.07,;7.37,-11.81,;6.07,-12.7,;6.12,-14.27,;4.75,-11.9,;3.5,-12.79,;3.49,-14.32,;2.24,-15.19,;2.7,-16.65,;4.22,-16.66,;4.71,-15.22,;4.77,-10.37,;3.46,-9.57,;2.12,-10.31,;3.49,-8.03,;4.87,-7.3,;4.93,-5.73,;12.79,-2.24,;12.76,-.68,;11.39,.08,;11.36,1.61,;12.67,2.4,;12.67,3.96,;13.97,1.6,;15.27,2.4,;15.24,3.92,;13.9,4.65,;13.86,6.17,;15.17,6.96,;16.5,6.24,;16.54,4.71,;13.98,.06,;15.3,-.68,;16.57,.14,;10.04,-.73,;10.07,-2.3,;8.68,.03,;7.33,-.78,;5.96,-.03,;5.93,1.55,;7.28,2.35,;7.25,3.91,;5.88,4.67,;5.85,6.23,;4.53,3.86,;4.57,2.29,;7.36,-2.35,;8.73,-3.1,;6.02,-3.15,;2.16,-7.2,;2.2,-5.64,;3.58,-4.89,;.88,-4.82,;.92,-3.26,;-.51,-5.56,;-1.84,-4.73,;-1.78,-3.17,;-3.11,-2.35,;-4.49,-3.09,;-5.83,-2.27,;-4.54,-4.67,;-3.2,-5.48,)| 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 | 495 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
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 | 4.62E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay |
J Med Chem 54: 1379-90 (2011)
Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.14 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50374115
(CHEMBL270691)Show SMILES Clc1ccc2c(c1)N(Cc1ccc3ccccc3c1)C(=O)C(Cc1ccccc1)NC2=O |w:21.24| Show InChI InChI=1S/C27H21ClN2O2/c28-22-12-13-23-25(16-22)30(17-19-10-11-20-8-4-5-9-21(20)14-19)27(32)24(29-26(23)31)15-18-6-2-1-3-7-18/h1-14,16,24H,15,17H2,(H,29,31) | 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 | 2.33E+4 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50374116
(CHEMBL270270)Show SMILES NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O |w:5.4| Show InChI InChI=1S/C20H22ClN3O2/c21-15-9-10-16-18(12-15)24(13-14-6-2-1-3-7-14)20(26)17(23-19(16)25)8-4-5-11-22/h1-3,6-7,9-10,12,17H,4-5,8,11,13,22H2,(H,23,25) | 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 | 320 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50374117
(CHEMBL406651)Show SMILES O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc12 |w:3.3| Show InChI InChI=1S/C23H20N2O2/c26-22-19-13-7-8-14-21(19)25(16-18-11-5-2-6-12-18)23(27)20(24-22)15-17-9-3-1-4-10-17/h1-14,20H,15-16H2,(H,24,26) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50374118
(CHEMBL270689)Show SMILES CCCCN1c2ccccc2C(=O)NC(Cc2ccccc2)C1=O |w:14.15| Show InChI InChI=1S/C20H22N2O2/c1-2-3-13-22-18-12-8-7-11-16(18)19(23)21-17(20(22)24)14-15-9-5-4-6-10-15/h4-12,17H,2-3,13-14H2,1H3,(H,21,23) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50374114
(CHEMBL272437)Show SMILES Clc1ccc2c(c1)N(Cc1ccc3ccccc3c1)C(=O)C(Cc1c[nH]c3ccccc13)NC2=O |w:21.24| Show InChI InChI=1S/C29H22ClN3O2/c30-22-11-12-24-27(15-22)33(17-18-9-10-19-5-1-2-6-20(19)13-18)29(35)26(32-28(24)34)14-21-16-31-25-8-4-3-7-23(21)25/h1-13,15-16,26,31H,14,17H2,(H,32,34) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50374119
(CHEMBL410435)Show SMILES Cc1cccc2c1N(Cc1ccccc1)C(=O)C(Cc1cn(Cc3ccccc3)c3ccccc13)NC2=O |w:17.19| Show InChI InChI=1S/C33H29N3O2/c1-23-11-10-17-28-31(23)36(21-25-14-6-3-7-15-25)33(38)29(34-32(28)37)19-26-22-35(20-24-12-4-2-5-13-24)30-18-9-8-16-27(26)30/h2-18,22,29H,19-21H2,1H3,(H,34,37) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50374120
(CHEMBL272843)Show SMILES O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N(Cc2ccccc2)c2ccccc12 |w:3.3| Show InChI InChI=1S/C25H21N3O2/c29-24-20-11-5-7-13-23(20)28(16-17-8-2-1-3-9-17)25(30)22(27-24)14-18-15-26-21-12-6-4-10-19(18)21/h1-13,15,22,26H,14,16H2,(H,27,29) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50374121
(CHEMBL272662)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-c2ccccc2-[#7](-[#6]-c2ccccc2)-[#6]-1=O Show InChI InChI=1S/C20H23N5O2/c21-20(22)23-12-6-10-16-19(27)25(13-14-7-2-1-3-8-14)17-11-5-4-9-15(17)18(26)24-16/h1-5,7-9,11,16H,6,10,12-13H2,(H,24,26)(H4,21,22,23) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50374122
(CHEMBL269837)Show SMILES CCCN1c2ccccc2C(=O)NC(Cc2ccccc2)C1=O |w:13.14| Show InChI InChI=1S/C19H20N2O2/c1-2-12-21-17-11-7-6-10-15(17)18(22)20-16(19(21)23)13-14-8-4-3-5-9-14/h3-11,16H,2,12-13H2,1H3,(H,20,22) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50374123
(CHEMBL273044)Show SMILES O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2-c2ccccc2)c2ccccc12 |w:3.3| Show InChI InChI=1S/C29H24N2O2/c32-28-25-17-9-10-18-27(25)31(29(33)26(30-28)19-21-11-3-1-4-12-21)20-23-15-7-8-16-24(23)22-13-5-2-6-14-22/h1-18,26H,19-20H2,(H,30,32) | 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 MC1R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50374115
(CHEMBL270691)Show SMILES Clc1ccc2c(c1)N(Cc1ccc3ccccc3c1)C(=O)C(Cc1ccccc1)NC2=O |w:21.24| Show InChI InChI=1S/C27H21ClN2O2/c28-22-12-13-23-25(16-22)30(17-19-10-11-20-8-4-5-9-21(20)14-19)27(32)24(29-26(23)31)15-18-6-2-1-3-7-18/h1-14,16,24H,15,17H2,(H,29,31) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50374116
(CHEMBL270270)Show SMILES NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O |w:5.4| Show InChI InChI=1S/C20H22ClN3O2/c21-15-9-10-16-18(12-15)24(13-14-6-2-1-3-7-14)20(26)17(23-19(16)25)8-4-5-11-22/h1-3,6-7,9-10,12,17H,4-5,8,11,13,22H2,(H,23,25) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay |
J Med Chem 51: 1423-31 (2008)
Article DOI: 10.1021/jm701303z
BindingDB Entry DOI: 10.7270/Q2KH0P61 |
More data for this
Ligand-Target Pair | |
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