Found 110 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301125
((S)-2-((R)-2-((S)-2-cinnamamido-3-(1H-imidazol-5-y...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(13.44,-24.45,;12.1,-23.69,;12.11,-22.15,;10.77,-24.45,;9.42,-23.7,;8.1,-24.47,;6.76,-23.7,;6.76,-22.16,;5.43,-21.39,;4.1,-22.16,;4.1,-23.7,;2.77,-21.38,;2.77,-19.84,;1.43,-19.08,;1.43,-17.54,;.1,-16.76,;-1.24,-17.54,;-1.24,-19.08,;.1,-19.84,;1.43,-22.15,;1.44,-23.69,;2.78,-24.46,;.11,-24.46,;-1.22,-23.69,;-2.55,-24.46,;-3.95,-23.83,;-4.99,-24.98,;-4.22,-26.31,;-2.72,-25.99,;.1,-26,;1.44,-26.76,;2.77,-25.99,;1.44,-28.3,;.11,-29.07,;.11,-30.61,;-1.24,-31.37,;-1.24,-32.91,;.1,-33.68,;1.44,-32.9,;1.43,-31.36,;8.1,-21.39,;9.42,-22.16,;8.1,-19.85,)| Show InChI InChI=1S/C30H37N9O4/c31-27(41)23(12-7-15-35-30(32)33)38-28(42)24(16-21-10-5-2-6-11-21)39-29(43)25(17-22-18-34-19-36-22)37-26(40)14-13-20-8-3-1-4-9-20/h1-6,8-11,13-14,18-19,23-25H,7,12,15-17H2,(H2,31,41)(H,34,36)(H,37,40)(H,38,42)(H,39,43)(H4,32,33,35)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301134
((S)-2-((R)-2-((S)-2-(3-(4-chlorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(35.53,-5.75,;34.19,-4.99,;34.2,-3.45,;32.85,-5.76,;31.51,-5,;30.19,-5.77,;28.85,-5,;28.85,-3.46,;27.52,-2.69,;26.19,-3.46,;26.19,-5,;24.86,-2.68,;24.86,-1.14,;23.52,-.38,;23.52,1.16,;22.19,1.94,;20.85,1.16,;20.85,-.38,;22.19,-1.14,;23.52,-3.45,;23.53,-4.99,;24.87,-5.76,;22.2,-5.76,;20.87,-4.99,;19.54,-5.76,;18.14,-5.13,;17.1,-6.28,;17.87,-7.61,;19.37,-7.29,;22.19,-7.3,;23.53,-8.06,;24.86,-7.29,;23.53,-9.6,;24.85,-10.37,;24.85,-11.9,;23.52,-12.66,;23.52,-14.19,;24.85,-14.96,;24.85,-16.49,;26.18,-14.18,;26.17,-12.65,;30.19,-2.69,;31.52,-3.46,;30.19,-1.15,)| Show InChI InChI=1S/C30H36ClN9O4/c31-21-11-8-19(9-12-21)10-13-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-20-5-2-1-3-6-20)28(43)39-23(27(32)42)7-4-14-36-30(33)34/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301134
((S)-2-((R)-2-((S)-2-(3-(4-chlorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(35.53,-5.75,;34.19,-4.99,;34.2,-3.45,;32.85,-5.76,;31.51,-5,;30.19,-5.77,;28.85,-5,;28.85,-3.46,;27.52,-2.69,;26.19,-3.46,;26.19,-5,;24.86,-2.68,;24.86,-1.14,;23.52,-.38,;23.52,1.16,;22.19,1.94,;20.85,1.16,;20.85,-.38,;22.19,-1.14,;23.52,-3.45,;23.53,-4.99,;24.87,-5.76,;22.2,-5.76,;20.87,-4.99,;19.54,-5.76,;18.14,-5.13,;17.1,-6.28,;17.87,-7.61,;19.37,-7.29,;22.19,-7.3,;23.53,-8.06,;24.86,-7.29,;23.53,-9.6,;24.85,-10.37,;24.85,-11.9,;23.52,-12.66,;23.52,-14.19,;24.85,-14.96,;24.85,-16.49,;26.18,-14.18,;26.17,-12.65,;30.19,-2.69,;31.52,-3.46,;30.19,-1.15,)| Show InChI InChI=1S/C30H36ClN9O4/c31-21-11-8-19(9-12-21)10-13-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-20-5-2-1-3-6-20)28(43)39-23(27(32)42)7-4-14-36-30(33)34/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/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 | 5.89E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301134
((S)-2-((R)-2-((S)-2-(3-(4-chlorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(35.53,-5.75,;34.19,-4.99,;34.2,-3.45,;32.85,-5.76,;31.51,-5,;30.19,-5.77,;28.85,-5,;28.85,-3.46,;27.52,-2.69,;26.19,-3.46,;26.19,-5,;24.86,-2.68,;24.86,-1.14,;23.52,-.38,;23.52,1.16,;22.19,1.94,;20.85,1.16,;20.85,-.38,;22.19,-1.14,;23.52,-3.45,;23.53,-4.99,;24.87,-5.76,;22.2,-5.76,;20.87,-4.99,;19.54,-5.76,;18.14,-5.13,;17.1,-6.28,;17.87,-7.61,;19.37,-7.29,;22.19,-7.3,;23.53,-8.06,;24.86,-7.29,;23.53,-9.6,;24.85,-10.37,;24.85,-11.9,;23.52,-12.66,;23.52,-14.19,;24.85,-14.96,;24.85,-16.49,;26.18,-14.18,;26.17,-12.65,;30.19,-2.69,;31.52,-3.46,;30.19,-1.15,)| Show InChI InChI=1S/C30H36ClN9O4/c31-21-11-8-19(9-12-21)10-13-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-20-5-2-1-3-6-20)28(43)39-23(27(32)42)7-4-14-36-30(33)34/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301152
(CHEMBL568965 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,34.35,wU:22.30,7.7,wD:11.19,(19.61,-41.63,;18.27,-40.87,;18.28,-39.33,;16.93,-41.64,;15.59,-40.88,;14.27,-41.65,;12.93,-40.88,;12.93,-39.34,;11.6,-38.57,;10.27,-39.34,;10.27,-40.88,;8.94,-38.56,;8.94,-37.02,;7.6,-36.25,;7.6,-34.71,;6.27,-33.94,;4.93,-34.71,;4.93,-36.25,;6.27,-37.02,;7.6,-39.33,;7.61,-40.87,;8.95,-41.64,;6.28,-41.64,;4.95,-40.87,;3.62,-41.64,;2.22,-41.01,;1.18,-42.16,;1.95,-43.49,;3.45,-43.17,;6.27,-43.18,;7.61,-43.94,;8.94,-43.17,;7.61,-45.48,;6.27,-46.25,;6.27,-47.79,;4.94,-48.56,;4.94,-50.09,;6.27,-50.84,;6.28,-52.37,;4.95,-53.15,;4.64,-54.65,;3.11,-54.81,;2.49,-53.41,;3.62,-52.38,;3.63,-50.86,;14.27,-38.57,;15.6,-39.34,;14.27,-37.03,)| Show InChI InChI=1S/C33H39N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-5,7-9,11-13,16,18-19,24-26H,6,10,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301156
(CHEMBL569694 | Ph(CH2)3CO-His-D-Phe-Arg-NH2)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(44.12,-6.81,;42.78,-6.03,;42.79,-4.5,;41.46,-6.82,;40.13,-6.04,;38.8,-6.82,;37.46,-6.04,;37.46,-4.51,;36.14,-3.73,;34.81,-4.5,;34.81,-6.04,;33.48,-3.73,;33.48,-2.19,;32.14,-1.42,;32.14,.11,;30.82,.89,;29.48,.11,;29.48,-1.42,;30.82,-2.19,;32.14,-4.49,;32.15,-6.03,;33.49,-6.81,;30.83,-6.81,;29.49,-6.03,;28.16,-6.81,;26.76,-6.18,;25.73,-7.33,;26.49,-8.65,;28,-8.34,;30.81,-8.35,;32.15,-9.11,;33.48,-8.34,;32.15,-10.64,;33.48,-11.42,;33.48,-12.95,;34.81,-13.73,;34.81,-15.27,;36.14,-16.04,;37.48,-15.27,;37.48,-13.72,;36.14,-12.95,;38.8,-3.73,;40.13,-4.5,;38.8,-2.2,)| Show InChI InChI=1S/C31H41N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-6,9-12,19-20,24-26H,7-8,13-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301141
((S)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-4-yl)p...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2OCOc12)C(N)=O |r,wU:22.30,7.7,wD:11.19,(32.56,-30.51,;31.22,-29.74,;31.23,-28.2,;29.89,-30.51,;28.55,-29.75,;27.22,-30.52,;25.89,-29.75,;25.89,-28.21,;24.55,-27.44,;23.22,-28.21,;23.22,-29.75,;21.89,-27.44,;21.89,-25.9,;20.55,-25.13,;20.55,-23.59,;19.22,-22.82,;17.89,-23.59,;17.89,-25.13,;19.22,-25.9,;20.55,-28.21,;20.56,-29.75,;21.9,-30.52,;19.23,-30.52,;17.9,-29.75,;16.56,-30.52,;15.16,-29.89,;14.13,-31.04,;14.9,-32.36,;16.4,-32.05,;19.22,-32.06,;20.56,-32.82,;21.89,-32.05,;20.56,-34.36,;19.22,-35.13,;19.22,-36.67,;20.55,-37.43,;20.56,-38.96,;19.22,-39.74,;17.88,-38.97,;16.41,-39.45,;15.51,-38.2,;16.41,-36.95,;17.88,-37.42,;27.22,-27.44,;28.55,-28.21,;27.22,-25.9,)| Show InChI InChI=1S/C31H39N9O6/c32-28(42)22(9-5-13-36-31(33)34)39-29(43)23(14-19-6-2-1-3-7-19)40-30(44)24(15-21-16-35-17-37-21)38-26(41)12-11-20-8-4-10-25-27(20)46-18-45-25/h1-4,6-8,10,16-17,22-24H,5,9,11-15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50301155
(CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wD:11.19,22.30,7.7,44.46,(22.66,-18.05,;24.01,-17.28,;25.34,-18.06,;24,-15.74,;22.67,-14.96,;22.68,-13.42,;21.35,-12.64,;21.36,-11.09,;20.03,-10.32,;18.69,-11.09,;18.69,-12.63,;17.36,-10.31,;17.37,-8.77,;18.7,-8.01,;18.71,-6.47,;20.05,-5.7,;21.38,-6.49,;21.37,-8.02,;20.05,-8.78,;16.02,-11.08,;14.69,-10.3,;14.7,-8.75,;13.35,-11.07,;13.35,-12.61,;14.68,-13.39,;16.09,-12.77,;17.12,-13.92,;16.34,-15.25,;14.83,-14.92,;12.02,-10.29,;10.68,-11.05,;10.68,-12.59,;9.36,-10.27,;8.02,-11.03,;6.7,-10.25,;5.36,-11.02,;4.04,-10.23,;2.69,-10.98,;2.69,-12.52,;4.02,-13.3,;5.36,-12.54,;22.7,-10.33,;22.7,-8.79,;24.03,-11.11,;25.36,-10.35,;25.37,-8.81,;26.71,-8.05,;28.11,-8.66,;29.14,-7.53,;28.38,-6.19,;28.87,-4.72,;27.83,-3.58,;26.33,-3.89,;25.85,-5.35,;26.88,-6.52,;26.68,-11.12,;28.03,-10.36,;26.69,-12.67,)| Show InChI InChI=1S/C43H52N10O5/c44-39(55)35(25-31-27-49-33-17-8-7-16-32(31)33)52-40(56)34(18-10-21-48-43(45)46)51-42(58)37(23-29-13-5-2-6-14-29)53-41(57)36(24-30-20-22-47-26-30)50-38(54)19-9-15-28-11-3-1-4-12-28/h1-8,11-14,16-17,20,22,26-27,34-37,47,49H,9-10,15,18-19,21,23-25H2,(H2,44,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,45,46,48)/t34-,35+,36-,37+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against human MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50301156
(CHEMBL569694 | Ph(CH2)3CO-His-D-Phe-Arg-NH2)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(44.12,-6.81,;42.78,-6.03,;42.79,-4.5,;41.46,-6.82,;40.13,-6.04,;38.8,-6.82,;37.46,-6.04,;37.46,-4.51,;36.14,-3.73,;34.81,-4.5,;34.81,-6.04,;33.48,-3.73,;33.48,-2.19,;32.14,-1.42,;32.14,.11,;30.82,.89,;29.48,.11,;29.48,-1.42,;30.82,-2.19,;32.14,-4.49,;32.15,-6.03,;33.49,-6.81,;30.83,-6.81,;29.49,-6.03,;28.16,-6.81,;26.76,-6.18,;25.73,-7.33,;26.49,-8.65,;28,-8.34,;30.81,-8.35,;32.15,-9.11,;33.48,-8.34,;32.15,-10.64,;33.48,-11.42,;33.48,-12.95,;34.81,-13.73,;34.81,-15.27,;36.14,-16.04,;37.48,-15.27,;37.48,-13.72,;36.14,-12.95,;38.8,-3.73,;40.13,-4.5,;38.8,-2.2,)| Show InChI InChI=1S/C31H41N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-6,9-12,19-20,24-26H,7-8,13-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against human MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301139
(CHEMBL566760 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.19,-5.01,;31.86,-4.24,;31.86,-2.69,;30.53,-5.01,;29.19,-4.24,;27.87,-5.02,;26.53,-4.24,;26.53,-2.7,;25.2,-1.93,;23.86,-2.7,;23.86,-4.24,;22.53,-1.93,;22.53,-.39,;21.19,.38,;21.19,1.92,;19.86,2.69,;18.53,1.92,;18.53,.38,;19.86,-.39,;21.19,-2.7,;21.2,-4.24,;22.54,-5.01,;19.87,-5.01,;18.53,-4.24,;17.2,-5.01,;15.8,-4.38,;14.77,-5.53,;15.53,-6.86,;17.04,-6.54,;19.86,-6.55,;21.2,-7.31,;22.53,-6.54,;21.2,-8.85,;19.86,-9.62,;19.86,-11.16,;21.2,-11.92,;21.21,-13.46,;22.54,-14.23,;22.55,-15.77,;23.88,-13.44,;23.87,-11.91,;22.53,-11.15,;22.53,-9.62,;27.87,-1.94,;29.19,-2.7,;27.87,-.4,)| Show InChI InChI=1S/C32H37N9O5/c33-28(43)25(7-4-12-37-32(34)35)39-30(45)26(13-19-5-2-1-3-6-19)41-31(46)27(16-23-17-36-18-38-23)40-29(44)22-9-8-21-15-24(42)11-10-20(21)14-22/h1-3,5-6,8-11,14-15,17-18,25-27,42H,4,7,12-13,16H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t25-,26-,27+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301140
((R)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-5-yl)a...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(29.56,-2.79,;28.23,-2.02,;28.23,-.48,;26.89,-2.79,;25.56,-2.03,;24.23,-2.8,;22.89,-2.03,;22.89,-.49,;21.56,.28,;20.22,-.49,;20.22,-2.03,;18.89,.28,;18.89,1.82,;17.56,2.59,;17.56,4.13,;16.23,4.9,;14.89,4.13,;14.89,2.59,;16.23,1.82,;17.56,-.49,;17.57,-2.03,;18.9,-2.8,;16.24,-2.8,;14.9,-2.03,;13.57,-2.8,;12.16,-2.16,;11.13,-3.32,;11.9,-4.64,;13.41,-4.33,;16.23,-4.34,;17.56,-5.1,;18.9,-4.33,;17.56,-6.64,;16.23,-7.41,;16.23,-8.95,;17.56,-9.71,;17.57,-11.25,;16.23,-12.02,;15.92,-13.53,;14.38,-13.7,;13.75,-12.3,;14.89,-11.26,;14.9,-9.71,;24.23,.28,;25.56,-.49,;24.23,1.82,)| Show InChI InChI=1S/C31H37N9O6/c32-28(42)22(7-4-12-36-31(33)34)39-29(43)23(13-19-5-2-1-3-6-19)40-30(44)24(15-21-16-35-17-37-21)38-27(41)11-9-20-8-10-25-26(14-20)46-18-45-25/h1-3,5-6,8-11,14,16-17,22-24H,4,7,12-13,15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 567 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301142
((R)-2-((R)-2-((S)-2-(3-(2,4-difluorophenyl)acrylam...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(F)cc1F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(33.25,-4.16,;31.92,-3.39,;31.93,-1.84,;30.59,-4.16,;29.25,-3.39,;27.93,-4.17,;26.59,-3.39,;26.59,-1.85,;25.26,-1.08,;23.92,-1.85,;23.92,-3.39,;22.59,-1.08,;22.59,.46,;21.25,1.23,;21.25,2.77,;19.92,3.54,;18.59,2.77,;18.59,1.23,;19.92,.46,;21.25,-1.85,;21.26,-3.39,;22.6,-4.16,;19.93,-4.16,;18.59,-3.39,;17.26,-4.16,;15.86,-3.53,;14.83,-4.68,;15.59,-6.01,;17.1,-5.69,;19.92,-5.7,;21.26,-6.46,;22.59,-5.69,;21.26,-8,;19.92,-8.77,;19.92,-10.31,;18.58,-11.07,;18.58,-12.61,;19.92,-13.39,;19.92,-14.93,;21.26,-12.6,;21.25,-11.07,;22.58,-10.3,;27.93,-1.09,;29.25,-1.85,;27.93,.45,)| Show InChI InChI=1S/C30H35F2N9O4/c31-20-10-8-19(22(32)14-20)9-11-26(42)39-25(15-21-16-36-17-38-21)29(45)41-24(13-18-5-2-1-3-6-18)28(44)40-23(27(33)43)7-4-12-37-30(34)35/h1-3,5-6,8-11,14,16-17,23-25H,4,7,12-13,15H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301148
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-phenyl...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C\C=C\c1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.27,-4.36,;8.93,-3.61,;8.94,-2.07,;7.59,-4.37,;6.25,-3.62,;4.93,-4.38,;3.59,-3.62,;3.59,-2.08,;2.26,-1.31,;.92,-2.07,;.92,-3.61,;-.41,-1.3,;-.41,.24,;-1.74,1.01,;-1.74,2.55,;-3.07,3.32,;-4.41,2.55,;-4.41,1.01,;-3.07,.24,;-1.74,-2.07,;-1.73,-3.61,;-.39,-4.38,;-3.06,-4.38,;-4.4,-3.61,;-5.73,-4.38,;-7.13,-3.75,;-8.16,-4.9,;-7.4,-6.23,;-5.89,-5.91,;-3.07,-5.92,;-1.73,-6.67,;-.4,-5.91,;-1.73,-8.21,;-3.07,-8.99,;-3.07,-10.53,;-4.4,-11.29,;-5.73,-10.52,;-7.06,-11.29,;-7.06,-12.83,;-5.72,-13.6,;-4.4,-12.82,;4.93,-1.31,;6.25,-2.08,;4.93,.23,)| Show InChI InChI=1S/C31H39N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-7,9-13,19-20,24-26H,8,14-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/b13-7+/t24-,25-,26+/m1/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 | 2.41E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301135
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(10.53,-27.66,;9.19,-26.89,;9.2,-25.35,;7.86,-27.66,;6.51,-26.91,;5.19,-27.67,;3.85,-26.91,;3.85,-25.37,;2.52,-24.59,;1.19,-25.36,;1.19,-26.9,;-.14,-24.59,;-.14,-23.05,;-1.48,-22.28,;-1.48,-20.74,;-2.81,-19.97,;-4.14,-20.74,;-4.14,-22.28,;-2.81,-23.05,;-1.47,-25.36,;-1.46,-26.9,;-.13,-27.66,;-2.79,-27.66,;-4.13,-26.9,;-5.46,-27.66,;-6.86,-27.04,;-7.9,-28.18,;-7.13,-29.51,;-5.62,-29.2,;-2.81,-29.2,;-1.47,-29.97,;-.14,-29.19,;-1.47,-31.51,;-.14,-32.27,;-.14,-33.81,;-1.48,-34.56,;-1.48,-36.1,;-.15,-36.86,;-.15,-38.4,;1.18,-36.09,;1.18,-34.56,;5.19,-24.59,;6.52,-25.37,;5.19,-23.05,)| Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-13,17-18,23-25,40H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.81E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301140
((R)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-5-yl)a...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(29.56,-2.79,;28.23,-2.02,;28.23,-.48,;26.89,-2.79,;25.56,-2.03,;24.23,-2.8,;22.89,-2.03,;22.89,-.49,;21.56,.28,;20.22,-.49,;20.22,-2.03,;18.89,.28,;18.89,1.82,;17.56,2.59,;17.56,4.13,;16.23,4.9,;14.89,4.13,;14.89,2.59,;16.23,1.82,;17.56,-.49,;17.57,-2.03,;18.9,-2.8,;16.24,-2.8,;14.9,-2.03,;13.57,-2.8,;12.16,-2.16,;11.13,-3.32,;11.9,-4.64,;13.41,-4.33,;16.23,-4.34,;17.56,-5.1,;18.9,-4.33,;17.56,-6.64,;16.23,-7.41,;16.23,-8.95,;17.56,-9.71,;17.57,-11.25,;16.23,-12.02,;15.92,-13.53,;14.38,-13.7,;13.75,-12.3,;14.89,-11.26,;14.9,-9.71,;24.23,.28,;25.56,-.49,;24.23,1.82,)| Show InChI InChI=1S/C31H37N9O6/c32-28(42)22(7-4-12-36-31(33)34)39-29(43)23(13-19-5-2-1-3-6-19)40-30(44)24(15-21-16-35-17-37-21)38-27(41)11-9-20-8-10-25-26(14-20)46-18-45-25/h1-3,5-6,8-11,14,16-17,22-24H,4,7,12-13,15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301141
((S)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-4-yl)p...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2OCOc12)C(N)=O |r,wU:22.30,7.7,wD:11.19,(32.56,-30.51,;31.22,-29.74,;31.23,-28.2,;29.89,-30.51,;28.55,-29.75,;27.22,-30.52,;25.89,-29.75,;25.89,-28.21,;24.55,-27.44,;23.22,-28.21,;23.22,-29.75,;21.89,-27.44,;21.89,-25.9,;20.55,-25.13,;20.55,-23.59,;19.22,-22.82,;17.89,-23.59,;17.89,-25.13,;19.22,-25.9,;20.55,-28.21,;20.56,-29.75,;21.9,-30.52,;19.23,-30.52,;17.9,-29.75,;16.56,-30.52,;15.16,-29.89,;14.13,-31.04,;14.9,-32.36,;16.4,-32.05,;19.22,-32.06,;20.56,-32.82,;21.89,-32.05,;20.56,-34.36,;19.22,-35.13,;19.22,-36.67,;20.55,-37.43,;20.56,-38.96,;19.22,-39.74,;17.88,-38.97,;16.41,-39.45,;15.51,-38.2,;16.41,-36.95,;17.88,-37.42,;27.22,-27.44,;28.55,-28.21,;27.22,-25.9,)| Show InChI InChI=1S/C31H39N9O6/c32-28(42)22(9-5-13-36-31(33)34)39-29(43)23(14-19-6-2-1-3-7-19)40-30(44)24(15-21-16-35-17-37-21)38-26(41)12-11-20-8-4-10-25-27(20)46-18-45-25/h1-4,6-8,10,16-17,22-24H,5,9,11-15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.55E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301144
((S)-2-((R)-2-((S)-2-(3-(1H-imidazol-4-yl)propanami...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cnc[nH]1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.71,-6.59,;32.38,-5.81,;32.38,-4.27,;31.05,-6.59,;29.71,-5.82,;28.39,-6.59,;27.05,-5.82,;27.05,-4.28,;25.72,-3.51,;24.38,-4.28,;24.38,-5.82,;23.05,-3.51,;23.05,-1.97,;21.71,-1.2,;21.71,.34,;20.38,1.11,;19.04,.34,;19.04,-1.2,;20.38,-1.97,;21.71,-4.27,;21.72,-5.81,;23.06,-6.59,;20.39,-6.59,;19.05,-5.81,;17.72,-6.59,;16.32,-5.95,;15.29,-7.11,;16.05,-8.44,;17.56,-8.12,;20.38,-8.13,;21.72,-8.89,;23.05,-8.12,;21.72,-10.43,;20.38,-11.2,;20.38,-12.74,;21.62,-13.63,;21.15,-15.1,;19.61,-15.1,;19.13,-13.63,;28.39,-3.51,;29.71,-4.28,;28.39,-1.97,)| Show InChI InChI=1S/C27H37N11O4/c28-24(40)20(7-4-10-33-27(29)30)37-25(41)21(11-17-5-2-1-3-6-17)38-26(42)22(12-19-14-32-16-35-19)36-23(39)9-8-18-13-31-15-34-18/h1-3,5-6,13-16,20-22H,4,7-12H2,(H2,28,40)(H,31,34)(H,32,35)(H,36,39)(H,37,41)(H,38,42)(H4,29,30,33)/t20-,21-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.87E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301149
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-oxo-4-...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.24,-4.13,;31.9,-3.38,;31.91,-1.83,;30.56,-4.14,;29.22,-3.39,;27.89,-4.15,;26.56,-3.39,;26.56,-1.85,;25.22,-1.07,;23.89,-1.84,;23.89,-3.38,;22.56,-1.07,;22.56,.47,;21.22,1.24,;21.22,2.78,;19.89,3.55,;18.56,2.78,;18.56,1.24,;19.89,.47,;21.23,-1.84,;21.24,-3.38,;22.57,-4.15,;19.91,-4.15,;18.57,-3.38,;17.24,-4.15,;15.84,-3.52,;14.8,-4.67,;15.57,-6,;17.08,-5.68,;19.89,-5.69,;21.23,-6.44,;22.57,-5.68,;21.23,-7.98,;19.9,-8.76,;19.9,-10.3,;21.23,-11.06,;18.57,-11.06,;17.24,-10.29,;15.91,-11.05,;15.91,-12.6,;17.25,-13.37,;18.57,-12.59,;27.89,-1.07,;29.22,-1.85,;27.89,.47,)| Show InChI InChI=1S/C31H39N9O5/c32-28(43)23(12-7-15-36-31(33)34)39-29(44)24(16-20-8-3-1-4-9-20)40-30(45)25(17-22-18-35-19-37-22)38-27(42)14-13-26(41)21-10-5-2-6-11-21/h1-6,8-11,18-19,23-25H,7,12-17H2,(H2,32,43)(H,35,37)(H,38,42)(H,39,44)(H,40,45)(H4,33,34,36)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.28E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301150
((S)-2-((R)-2-((S)-2-(4-(4-fluorophenyl)-4-oxobutan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(11.74,-24.83,;10.41,-24.06,;10.42,-22.52,;9.07,-24.83,;7.73,-24.07,;6.41,-24.84,;5.07,-24.07,;5.07,-22.53,;3.74,-21.76,;2.4,-22.53,;2.4,-24.07,;1.08,-21.76,;1.08,-20.22,;-.26,-19.45,;-.26,-17.91,;-1.59,-17.14,;-2.92,-17.91,;-2.92,-19.45,;-1.59,-20.22,;-.26,-22.53,;-.25,-24.07,;1.09,-24.83,;-1.58,-24.83,;-2.91,-24.07,;-4.24,-24.83,;-5.65,-24.2,;-6.68,-25.36,;-5.91,-26.69,;-4.4,-26.36,;-1.59,-26.37,;-.25,-27.13,;1.08,-26.36,;-.25,-28.67,;-1.59,-29.44,;-1.59,-30.98,;-.25,-31.75,;-2.92,-31.75,;-4.25,-30.97,;-5.58,-31.75,;-5.58,-33.29,;-6.92,-34.06,;-4.24,-34.05,;-2.91,-33.28,;6.41,-21.76,;7.73,-22.53,;6.41,-20.22,)| Show InChI InChI=1S/C31H38FN9O5/c32-21-10-8-20(9-11-21)26(42)12-13-27(43)39-25(16-22-17-36-18-38-22)30(46)41-24(15-19-5-2-1-3-6-19)29(45)40-23(28(33)44)7-4-14-37-31(34)35/h1-3,5-6,8-11,17-18,23-25H,4,7,12-16H2,(H2,33,44)(H,36,38)(H,39,43)(H,40,45)(H,41,46)(H4,34,35,37)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301126
((S)-2-((R)-2-((S)-2-(3-(2-fluorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(36.25,-25.56,;34.9,-24.8,;34.92,-23.26,;33.57,-25.56,;32.22,-24.81,;30.9,-25.58,;29.56,-24.81,;29.56,-23.27,;28.23,-22.5,;26.9,-23.27,;26.9,-24.81,;25.57,-22.49,;25.57,-20.95,;24.23,-20.19,;24.23,-18.65,;22.9,-17.87,;21.56,-18.65,;21.56,-20.19,;22.9,-20.95,;24.23,-23.26,;24.24,-24.8,;25.58,-25.57,;22.91,-25.57,;21.58,-24.8,;20.25,-25.57,;18.85,-24.94,;17.81,-26.09,;18.58,-27.42,;20.08,-27.1,;22.9,-27.11,;24.24,-27.87,;25.58,-27.1,;24.24,-29.41,;22.91,-30.18,;22.91,-31.72,;21.56,-32.48,;21.56,-34.02,;22.9,-34.79,;24.24,-34.01,;24.23,-32.47,;25.56,-31.7,;30.9,-22.5,;32.22,-23.27,;30.9,-20.96,)| Show InChI InChI=1S/C30H36FN9O4/c31-22-10-5-4-9-20(22)12-13-26(41)38-25(16-21-17-35-18-37-21)29(44)40-24(15-19-7-2-1-3-8-19)28(43)39-23(27(32)42)11-6-14-36-30(33)34/h1-5,7-10,12-13,17-18,23-25H,6,11,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.86E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301129
((S)-2-((R)-2-((S)-2-(3-(3-chlorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(35.35,-6.6,;34.01,-5.84,;34.02,-4.29,;32.68,-6.61,;31.34,-5.84,;30.01,-6.61,;28.68,-5.84,;28.68,-4.3,;27.34,-3.53,;26.01,-4.3,;26.01,-5.84,;24.68,-3.53,;24.68,-1.99,;23.34,-1.22,;23.34,.32,;22.02,1.09,;20.68,.32,;20.68,-1.22,;22.02,-1.99,;23.35,-4.3,;23.35,-5.84,;24.69,-6.61,;22.02,-6.61,;20.69,-5.84,;19.35,-6.61,;17.95,-5.98,;16.92,-7.13,;17.69,-8.46,;19.2,-8.14,;22.01,-8.15,;23.35,-8.91,;24.68,-8.14,;23.35,-10.45,;22.02,-11.22,;22.02,-12.76,;20.68,-13.52,;20.68,-15.06,;22.01,-15.83,;23.35,-15.05,;24.68,-15.82,;23.34,-13.52,;30.01,-3.53,;31.35,-4.3,;30.01,-1.99,)| Show InChI InChI=1S/C30H36ClN9O4/c31-21-9-4-8-20(14-21)11-12-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-19-6-2-1-3-7-19)28(43)39-23(27(32)42)10-5-13-36-30(33)34/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.39E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301130
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(3-(tr...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(c1)C(F)(F)F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(9.88,-27.18,;8.54,-26.42,;8.55,-24.87,;7.21,-27.19,;5.87,-26.42,;4.54,-27.19,;3.21,-26.42,;3.21,-24.88,;1.87,-24.11,;.54,-24.88,;.54,-26.42,;-.79,-24.11,;-.79,-22.57,;-2.13,-21.8,;-2.13,-20.26,;-3.46,-19.49,;-4.79,-20.26,;-4.79,-21.8,;-3.46,-22.57,;-2.13,-24.88,;-2.12,-26.42,;-.78,-27.19,;-3.45,-27.19,;-4.78,-26.42,;-6.12,-27.19,;-7.52,-26.56,;-8.55,-27.71,;-7.78,-29.04,;-6.28,-28.72,;-3.46,-28.73,;-2.12,-29.49,;-.79,-28.72,;-2.12,-31.03,;-3.46,-31.8,;-3.46,-33.34,;-4.8,-34.1,;-4.8,-35.64,;-3.46,-36.41,;-2.12,-35.63,;-2.13,-34.1,;-.79,-36.4,;-.78,-37.94,;.54,-35.62,;.54,-37.17,;4.54,-24.11,;5.87,-24.88,;4.54,-22.57,)| Show InChI InChI=1S/C31H36F3N9O4/c32-31(33,34)21-9-4-8-20(14-21)11-12-26(44)41-25(16-22-17-38-18-40-22)29(47)43-24(15-19-6-2-1-3-7-19)28(46)42-23(27(35)45)10-5-13-39-30(36)37/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,35,45)(H,38,40)(H,41,44)(H,42,46)(H,43,47)(H4,36,37,39)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.78E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
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 | 10.2 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301129
((S)-2-((R)-2-((S)-2-(3-(3-chlorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(35.35,-6.6,;34.01,-5.84,;34.02,-4.29,;32.68,-6.61,;31.34,-5.84,;30.01,-6.61,;28.68,-5.84,;28.68,-4.3,;27.34,-3.53,;26.01,-4.3,;26.01,-5.84,;24.68,-3.53,;24.68,-1.99,;23.34,-1.22,;23.34,.32,;22.02,1.09,;20.68,.32,;20.68,-1.22,;22.02,-1.99,;23.35,-4.3,;23.35,-5.84,;24.69,-6.61,;22.02,-6.61,;20.69,-5.84,;19.35,-6.61,;17.95,-5.98,;16.92,-7.13,;17.69,-8.46,;19.2,-8.14,;22.01,-8.15,;23.35,-8.91,;24.68,-8.14,;23.35,-10.45,;22.02,-11.22,;22.02,-12.76,;20.68,-13.52,;20.68,-15.06,;22.01,-15.83,;23.35,-15.05,;24.68,-15.82,;23.34,-13.52,;30.01,-3.53,;31.35,-4.3,;30.01,-1.99,)| Show InChI InChI=1S/C30H36ClN9O4/c31-21-9-4-8-20(14-21)11-12-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-19-6-2-1-3-7-19)28(43)39-23(27(32)42)10-5-13-36-30(33)34/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 660 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301144
((S)-2-((R)-2-((S)-2-(3-(1H-imidazol-4-yl)propanami...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cnc[nH]1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.71,-6.59,;32.38,-5.81,;32.38,-4.27,;31.05,-6.59,;29.71,-5.82,;28.39,-6.59,;27.05,-5.82,;27.05,-4.28,;25.72,-3.51,;24.38,-4.28,;24.38,-5.82,;23.05,-3.51,;23.05,-1.97,;21.71,-1.2,;21.71,.34,;20.38,1.11,;19.04,.34,;19.04,-1.2,;20.38,-1.97,;21.71,-4.27,;21.72,-5.81,;23.06,-6.59,;20.39,-6.59,;19.05,-5.81,;17.72,-6.59,;16.32,-5.95,;15.29,-7.11,;16.05,-8.44,;17.56,-8.12,;20.38,-8.13,;21.72,-8.89,;23.05,-8.12,;21.72,-10.43,;20.38,-11.2,;20.38,-12.74,;21.62,-13.63,;21.15,-15.1,;19.61,-15.1,;19.13,-13.63,;28.39,-3.51,;29.71,-4.28,;28.39,-1.97,)| Show InChI InChI=1S/C27H37N11O4/c28-24(40)20(7-4-10-33-27(29)30)37-25(41)21(11-17-5-2-1-3-6-17)38-26(42)22(12-19-14-32-16-35-19)36-23(39)9-8-18-13-31-15-34-18/h1-3,5-6,13-16,20-22H,4,7-12H2,(H2,28,40)(H,31,34)(H,32,35)(H,36,39)(H,37,41)(H,38,42)(H4,29,30,33)/t20-,21-,22+/m1/s1 | 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 Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301135
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(10.53,-27.66,;9.19,-26.89,;9.2,-25.35,;7.86,-27.66,;6.51,-26.91,;5.19,-27.67,;3.85,-26.91,;3.85,-25.37,;2.52,-24.59,;1.19,-25.36,;1.19,-26.9,;-.14,-24.59,;-.14,-23.05,;-1.48,-22.28,;-1.48,-20.74,;-2.81,-19.97,;-4.14,-20.74,;-4.14,-22.28,;-2.81,-23.05,;-1.47,-25.36,;-1.46,-26.9,;-.13,-27.66,;-2.79,-27.66,;-4.13,-26.9,;-5.46,-27.66,;-6.86,-27.04,;-7.9,-28.18,;-7.13,-29.51,;-5.62,-29.2,;-2.81,-29.2,;-1.47,-29.97,;-.14,-29.19,;-1.47,-31.51,;-.14,-32.27,;-.14,-33.81,;-1.48,-34.56,;-1.48,-36.1,;-.15,-36.86,;-.15,-38.4,;1.18,-36.09,;1.18,-34.56,;5.19,-24.59,;6.52,-25.37,;5.19,-23.05,)| Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-13,17-18,23-25,40H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/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 | 2.05E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301156
(CHEMBL569694 | Ph(CH2)3CO-His-D-Phe-Arg-NH2)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(44.12,-6.81,;42.78,-6.03,;42.79,-4.5,;41.46,-6.82,;40.13,-6.04,;38.8,-6.82,;37.46,-6.04,;37.46,-4.51,;36.14,-3.73,;34.81,-4.5,;34.81,-6.04,;33.48,-3.73,;33.48,-2.19,;32.14,-1.42,;32.14,.11,;30.82,.89,;29.48,.11,;29.48,-1.42,;30.82,-2.19,;32.14,-4.49,;32.15,-6.03,;33.49,-6.81,;30.83,-6.81,;29.49,-6.03,;28.16,-6.81,;26.76,-6.18,;25.73,-7.33,;26.49,-8.65,;28,-8.34,;30.81,-8.35,;32.15,-9.11,;33.48,-8.34,;32.15,-10.64,;33.48,-11.42,;33.48,-12.95,;34.81,-13.73,;34.81,-15.27,;36.14,-16.04,;37.48,-15.27,;37.48,-13.72,;36.14,-12.95,;38.8,-3.73,;40.13,-4.5,;38.8,-2.2,)| Show InChI InChI=1S/C31H41N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-6,9-12,19-20,24-26H,7-8,13-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301130
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(3-(tr...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(c1)C(F)(F)F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(9.88,-27.18,;8.54,-26.42,;8.55,-24.87,;7.21,-27.19,;5.87,-26.42,;4.54,-27.19,;3.21,-26.42,;3.21,-24.88,;1.87,-24.11,;.54,-24.88,;.54,-26.42,;-.79,-24.11,;-.79,-22.57,;-2.13,-21.8,;-2.13,-20.26,;-3.46,-19.49,;-4.79,-20.26,;-4.79,-21.8,;-3.46,-22.57,;-2.13,-24.88,;-2.12,-26.42,;-.78,-27.19,;-3.45,-27.19,;-4.78,-26.42,;-6.12,-27.19,;-7.52,-26.56,;-8.55,-27.71,;-7.78,-29.04,;-6.28,-28.72,;-3.46,-28.73,;-2.12,-29.49,;-.79,-28.72,;-2.12,-31.03,;-3.46,-31.8,;-3.46,-33.34,;-4.8,-34.1,;-4.8,-35.64,;-3.46,-36.41,;-2.12,-35.63,;-2.13,-34.1,;-.79,-36.4,;-.78,-37.94,;.54,-35.62,;.54,-37.17,;4.54,-24.11,;5.87,-24.88,;4.54,-22.57,)| Show InChI InChI=1S/C31H36F3N9O4/c32-31(33,34)21-9-4-8-20(14-21)11-12-26(44)41-25(16-22-17-38-18-40-22)29(47)43-24(15-19-6-2-1-3-7-19)28(46)42-23(27(35)45)10-5-13-39-30(36)37/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,35,45)(H,38,40)(H,41,44)(H,42,46)(H,43,47)(H4,36,37,39)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301133
(CHEMBL568409 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.17,-5.81,;8.83,-5.04,;8.84,-3.5,;7.49,-5.81,;6.15,-5.05,;4.83,-5.82,;3.49,-5.05,;3.49,-3.51,;2.16,-2.74,;.83,-3.51,;.83,-5.05,;-.5,-2.74,;-.5,-1.2,;-1.84,-.43,;-1.84,1.11,;-3.17,1.88,;-4.51,1.11,;-4.51,-.43,;-3.17,-1.2,;-1.84,-3.51,;-1.83,-5.05,;-.49,-5.81,;-3.16,-5.81,;-4.49,-5.05,;-5.82,-5.81,;-7.23,-5.19,;-8.26,-6.33,;-7.49,-7.66,;-5.99,-7.34,;-3.17,-7.35,;-1.83,-8.12,;-.5,-7.34,;-1.83,-9.66,;-3.08,-10.57,;-2.6,-12.03,;-3.37,-13.36,;-2.6,-14.69,;-3.37,-16.02,;-1.06,-14.68,;-.3,-13.36,;-1.06,-12.03,;-.59,-10.57,;4.83,-2.74,;6.15,-3.51,;4.83,-1.2,)| Show InChI InChI=1S/C30H36N10O5/c31-26(42)22(7-4-10-35-30(32)33)38-27(43)23(11-17-5-2-1-3-6-17)39-29(45)25(14-19-15-34-16-36-19)40-28(44)24-13-18-12-20(41)8-9-21(18)37-24/h1-3,5-6,8-9,12-13,15-16,22-23,25,37,41H,4,7,10-11,14H2,(H2,31,42)(H,34,36)(H,38,43)(H,39,45)(H,40,44)(H4,32,33,35)/t22-,23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.72E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301151
(CHEMBL567634 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O |r,w:32.33,34.35,wU:22.30,7.7,wD:11.19,(35.06,-24.82,;33.72,-24.06,;33.73,-22.52,;32.39,-24.83,;31.05,-24.07,;29.73,-24.84,;28.39,-24.07,;28.39,-22.53,;27.06,-21.76,;25.72,-22.53,;25.72,-24.07,;24.39,-21.75,;24.39,-20.21,;23.06,-19.45,;23.06,-17.91,;21.73,-17.13,;20.39,-17.91,;20.39,-19.45,;21.73,-20.21,;23.06,-22.52,;23.07,-24.06,;24.41,-24.83,;21.74,-24.83,;20.4,-24.06,;19.07,-24.83,;17.67,-24.2,;16.64,-25.35,;17.4,-26.68,;18.91,-26.36,;21.73,-26.37,;23.06,-27.13,;24.4,-26.36,;23.06,-28.67,;21.73,-29.44,;21.73,-30.98,;20.39,-31.75,;20.4,-33.28,;19.08,-34.04,;19.09,-35.57,;20.41,-36.34,;21.74,-35.56,;21.73,-34.03,;29.73,-21.76,;31.05,-22.53,;29.73,-20.22,)| Show InChI InChI=1S/C32H39N9O4/c33-29(43)25(15-9-17-37-32(34)35)40-30(44)26(18-23-13-5-2-6-14-23)41-31(45)27(19-24-20-36-21-38-24)39-28(42)16-8-7-12-22-10-3-1-4-11-22/h1-8,10-14,16,20-21,25-27H,9,15,17-19H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t25-,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.71E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301127
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(2-met...)Show SMILES COc1ccccc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |r,w:9.10,wU:13.13,34.36,wD:23.24,(7.6,-51.86,;6.26,-51.1,;4.93,-51.87,;4.94,-53.41,;3.6,-54.19,;2.26,-53.41,;2.26,-51.87,;3.6,-51.12,;3.6,-49.58,;4.94,-48.8,;4.94,-47.26,;6.27,-46.5,;3.6,-46.51,;3.61,-44.97,;2.27,-44.2,;.94,-44.97,;-.46,-44.34,;-1.49,-45.49,;-.73,-46.82,;.78,-46.5,;4.94,-44.2,;6.28,-44.97,;4.93,-42.66,;6.26,-41.89,;6.26,-40.35,;4.93,-39.58,;4.93,-38.04,;3.6,-37.27,;2.26,-38.04,;2.26,-39.58,;3.6,-40.35,;7.59,-42.66,;7.59,-44.2,;8.93,-41.89,;10.26,-42.67,;10.26,-44.21,;11.6,-44.97,;12.92,-44.21,;14.26,-44.96,;15.6,-44.2,;16.94,-44.95,;15.61,-42.65,;11.6,-41.89,;12.92,-42.67,;11.6,-40.35,)| Show InChI InChI=1S/C31H39N9O5/c1-45-26-12-6-5-10-21(26)13-14-27(41)38-25(17-22-18-35-19-37-22)30(44)40-24(16-20-8-3-2-4-9-20)29(43)39-23(28(32)42)11-7-15-36-31(33)34/h2-6,8-10,12-14,18-19,23-25H,7,11,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301133
(CHEMBL568409 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.17,-5.81,;8.83,-5.04,;8.84,-3.5,;7.49,-5.81,;6.15,-5.05,;4.83,-5.82,;3.49,-5.05,;3.49,-3.51,;2.16,-2.74,;.83,-3.51,;.83,-5.05,;-.5,-2.74,;-.5,-1.2,;-1.84,-.43,;-1.84,1.11,;-3.17,1.88,;-4.51,1.11,;-4.51,-.43,;-3.17,-1.2,;-1.84,-3.51,;-1.83,-5.05,;-.49,-5.81,;-3.16,-5.81,;-4.49,-5.05,;-5.82,-5.81,;-7.23,-5.19,;-8.26,-6.33,;-7.49,-7.66,;-5.99,-7.34,;-3.17,-7.35,;-1.83,-8.12,;-.5,-7.34,;-1.83,-9.66,;-3.08,-10.57,;-2.6,-12.03,;-3.37,-13.36,;-2.6,-14.69,;-3.37,-16.02,;-1.06,-14.68,;-.3,-13.36,;-1.06,-12.03,;-.59,-10.57,;4.83,-2.74,;6.15,-3.51,;4.83,-1.2,)| Show InChI InChI=1S/C30H36N10O5/c31-26(42)22(7-4-10-35-30(32)33)38-27(43)23(11-17-5-2-1-3-6-17)39-29(45)25(14-19-15-34-16-36-19)40-28(44)24-13-18-12-20(41)8-9-21(18)37-24/h1-3,5-6,8-9,12-13,15-16,22-23,25,37,41H,4,7,10-11,14H2,(H2,31,42)(H,34,36)(H,38,43)(H,39,45)(H,40,44)(H4,32,33,35)/t22-,23-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.28E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301128
((R)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1 |r,w:7.7,wU:11.10,32.33,wD:21.21,(27.52,-11.06,;26.19,-10.29,;24.86,-11.06,;24.86,-12.6,;23.52,-13.37,;22.19,-12.59,;20.86,-13.36,;19.53,-12.59,;19.53,-11.05,;20.86,-10.28,;18.19,-10.29,;18.19,-8.75,;16.85,-7.98,;15.52,-8.75,;14.12,-8.12,;13.08,-9.27,;13.85,-10.59,;15.36,-10.28,;19.52,-7.98,;20.85,-8.75,;19.51,-6.44,;20.85,-5.67,;20.85,-4.13,;19.51,-3.36,;19.51,-1.82,;18.18,-1.05,;16.84,-1.82,;16.84,-3.36,;18.18,-4.13,;22.17,-6.44,;22.17,-7.98,;23.51,-5.67,;24.84,-6.44,;24.84,-7.98,;26.18,-8.75,;27.51,-7.98,;28.85,-8.74,;30.18,-7.97,;31.51,-8.74,;30.18,-6.43,;26.18,-5.67,;27.51,-6.44,;26.18,-4.13,;22.19,-11.07,;23.51,-10.29,)| Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.66E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301131
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(3-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(O)c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(33.78,-29.06,;32.45,-28.29,;32.46,-26.75,;31.12,-29.06,;29.78,-28.3,;28.45,-29.07,;27.11,-28.3,;27.11,-26.76,;25.78,-25.99,;24.45,-26.75,;24.45,-28.29,;23.12,-25.98,;23.12,-24.44,;21.78,-23.67,;21.78,-22.13,;20.45,-21.36,;19.12,-22.13,;19.12,-23.67,;20.45,-24.44,;21.78,-26.75,;21.79,-28.29,;23.13,-29.06,;20.46,-29.06,;19.12,-28.29,;17.79,-29.06,;16.39,-28.43,;15.36,-29.58,;16.13,-30.91,;17.63,-30.59,;20.45,-30.6,;21.79,-31.36,;23.12,-30.59,;21.79,-32.9,;20.45,-33.67,;20.45,-35.21,;19.11,-35.98,;19.11,-37.51,;20.45,-38.29,;21.78,-37.51,;23.12,-38.27,;21.78,-35.97,;28.45,-25.99,;29.78,-26.76,;28.45,-24.45,)| Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(10-5-13-35-30(32)33)38-28(43)24(15-19-6-2-1-3-7-19)39-29(44)25(16-21-17-34-18-36-21)37-26(41)12-11-20-8-4-9-22(40)14-20/h1-4,6-9,11-12,14,17-18,23-25,40H,5,10,13,15-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 274 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301143
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(pyrid...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccnc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.33,-5.78,;8.99,-5.04,;9,-3.49,;7.65,-5.79,;6.3,-5.04,;4.99,-5.8,;3.64,-5.04,;3.64,-3.5,;2.31,-2.73,;.98,-3.49,;.98,-5.03,;-.35,-2.72,;-.35,-1.18,;-1.69,-.42,;-1.69,1.13,;-3.02,1.9,;-4.35,1.13,;-4.35,-.42,;-3.02,-1.18,;-1.69,-3.49,;-1.68,-5.03,;-.33,-5.79,;-3,-5.79,;-4.34,-5.03,;-5.67,-5.79,;-7.07,-5.16,;-8.1,-6.32,;-7.34,-7.64,;-5.83,-7.32,;-3.02,-7.33,;-1.67,-8.08,;-.34,-7.32,;-1.67,-9.62,;-3.01,-10.4,;-3.01,-11.94,;-4.34,-12.69,;-4.34,-14.23,;-3.01,-15,;-1.68,-14.23,;-1.68,-12.69,;4.99,-2.73,;6.31,-3.5,;4.99,-1.19,)| Show InChI InChI=1S/C29H38N10O4/c30-26(41)22(9-5-13-35-29(31)32)38-27(42)23(14-19-6-2-1-3-7-19)39-28(43)24(15-21-17-34-18-36-21)37-25(40)11-10-20-8-4-12-33-16-20/h1-4,6-8,12,16-18,22-24H,5,9-11,13-15H2,(H2,30,41)(H,34,36)(H,37,40)(H,38,42)(H,39,43)(H4,31,32,35)/t22-,23-,24+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301148
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-phenyl...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C\C=C\c1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.27,-4.36,;8.93,-3.61,;8.94,-2.07,;7.59,-4.37,;6.25,-3.62,;4.93,-4.38,;3.59,-3.62,;3.59,-2.08,;2.26,-1.31,;.92,-2.07,;.92,-3.61,;-.41,-1.3,;-.41,.24,;-1.74,1.01,;-1.74,2.55,;-3.07,3.32,;-4.41,2.55,;-4.41,1.01,;-3.07,.24,;-1.74,-2.07,;-1.73,-3.61,;-.39,-4.38,;-3.06,-4.38,;-4.4,-3.61,;-5.73,-4.38,;-7.13,-3.75,;-8.16,-4.9,;-7.4,-6.23,;-5.89,-5.91,;-3.07,-5.92,;-1.73,-6.67,;-.4,-5.91,;-1.73,-8.21,;-3.07,-8.99,;-3.07,-10.53,;-4.4,-11.29,;-5.73,-10.52,;-7.06,-11.29,;-7.06,-12.83,;-5.72,-13.6,;-4.4,-12.82,;4.93,-1.31,;6.25,-2.08,;4.93,.23,)| Show InChI InChI=1S/C31H39N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-7,9-13,19-20,24-26H,8,14-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/b13-7+/t24-,25-,26+/m1/s1 | KEGG
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 Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301155
(CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wD:11.19,22.30,7.7,44.46,(22.66,-18.05,;24.01,-17.28,;25.34,-18.06,;24,-15.74,;22.67,-14.96,;22.68,-13.42,;21.35,-12.64,;21.36,-11.09,;20.03,-10.32,;18.69,-11.09,;18.69,-12.63,;17.36,-10.31,;17.37,-8.77,;18.7,-8.01,;18.71,-6.47,;20.05,-5.7,;21.38,-6.49,;21.37,-8.02,;20.05,-8.78,;16.02,-11.08,;14.69,-10.3,;14.7,-8.75,;13.35,-11.07,;13.35,-12.61,;14.68,-13.39,;16.09,-12.77,;17.12,-13.92,;16.34,-15.25,;14.83,-14.92,;12.02,-10.29,;10.68,-11.05,;10.68,-12.59,;9.36,-10.27,;8.02,-11.03,;6.7,-10.25,;5.36,-11.02,;4.04,-10.23,;2.69,-10.98,;2.69,-12.52,;4.02,-13.3,;5.36,-12.54,;22.7,-10.33,;22.7,-8.79,;24.03,-11.11,;25.36,-10.35,;25.37,-8.81,;26.71,-8.05,;28.11,-8.66,;29.14,-7.53,;28.38,-6.19,;28.87,-4.72,;27.83,-3.58,;26.33,-3.89,;25.85,-5.35,;26.88,-6.52,;26.68,-11.12,;28.03,-10.36,;26.69,-12.67,)| Show InChI InChI=1S/C43H52N10O5/c44-39(55)35(25-31-27-49-33-17-8-7-16-32(31)33)52-40(56)34(18-10-21-48-43(45)46)51-42(58)37(23-29-13-5-2-6-14-29)53-41(57)36(24-30-20-22-47-26-30)50-38(54)19-9-15-28-11-3-1-4-12-28/h1-8,11-14,16-17,20,22,26-27,34-37,47,49H,9-10,15,18-19,21,23-25H2,(H2,44,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,45,46,48)/t34-,35+,36-,37+/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 | 26 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301133
(CHEMBL568409 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.17,-5.81,;8.83,-5.04,;8.84,-3.5,;7.49,-5.81,;6.15,-5.05,;4.83,-5.82,;3.49,-5.05,;3.49,-3.51,;2.16,-2.74,;.83,-3.51,;.83,-5.05,;-.5,-2.74,;-.5,-1.2,;-1.84,-.43,;-1.84,1.11,;-3.17,1.88,;-4.51,1.11,;-4.51,-.43,;-3.17,-1.2,;-1.84,-3.51,;-1.83,-5.05,;-.49,-5.81,;-3.16,-5.81,;-4.49,-5.05,;-5.82,-5.81,;-7.23,-5.19,;-8.26,-6.33,;-7.49,-7.66,;-5.99,-7.34,;-3.17,-7.35,;-1.83,-8.12,;-.5,-7.34,;-1.83,-9.66,;-3.08,-10.57,;-2.6,-12.03,;-3.37,-13.36,;-2.6,-14.69,;-3.37,-16.02,;-1.06,-14.68,;-.3,-13.36,;-1.06,-12.03,;-.59,-10.57,;4.83,-2.74,;6.15,-3.51,;4.83,-1.2,)| Show InChI InChI=1S/C30H36N10O5/c31-26(42)22(7-4-10-35-30(32)33)38-27(43)23(11-17-5-2-1-3-6-17)39-29(45)25(14-19-15-34-16-36-19)40-28(44)24-13-18-12-20(41)8-9-21(18)37-24/h1-3,5-6,8-9,12-13,15-16,22-23,25,37,41H,4,7,10-11,14H2,(H2,31,42)(H,34,36)(H,38,43)(H,39,45)(H,40,44)(H4,32,33,35)/t22-,23-,25+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.38E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301126
((S)-2-((R)-2-((S)-2-(3-(2-fluorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(36.25,-25.56,;34.9,-24.8,;34.92,-23.26,;33.57,-25.56,;32.22,-24.81,;30.9,-25.58,;29.56,-24.81,;29.56,-23.27,;28.23,-22.5,;26.9,-23.27,;26.9,-24.81,;25.57,-22.49,;25.57,-20.95,;24.23,-20.19,;24.23,-18.65,;22.9,-17.87,;21.56,-18.65,;21.56,-20.19,;22.9,-20.95,;24.23,-23.26,;24.24,-24.8,;25.58,-25.57,;22.91,-25.57,;21.58,-24.8,;20.25,-25.57,;18.85,-24.94,;17.81,-26.09,;18.58,-27.42,;20.08,-27.1,;22.9,-27.11,;24.24,-27.87,;25.58,-27.1,;24.24,-29.41,;22.91,-30.18,;22.91,-31.72,;21.56,-32.48,;21.56,-34.02,;22.9,-34.79,;24.24,-34.01,;24.23,-32.47,;25.56,-31.7,;30.9,-22.5,;32.22,-23.27,;30.9,-20.96,)| Show InChI InChI=1S/C30H36FN9O4/c31-22-10-5-4-9-20(22)12-13-26(41)38-25(16-21-17-35-18-37-21)29(44)40-24(15-19-7-2-1-3-8-19)28(43)39-23(27(32)42)11-6-14-36-30(33)34/h1-5,7-10,12-13,17-18,23-25H,6,11,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301128
((R)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1 |r,w:7.7,wU:11.10,32.33,wD:21.21,(27.52,-11.06,;26.19,-10.29,;24.86,-11.06,;24.86,-12.6,;23.52,-13.37,;22.19,-12.59,;20.86,-13.36,;19.53,-12.59,;19.53,-11.05,;20.86,-10.28,;18.19,-10.29,;18.19,-8.75,;16.85,-7.98,;15.52,-8.75,;14.12,-8.12,;13.08,-9.27,;13.85,-10.59,;15.36,-10.28,;19.52,-7.98,;20.85,-8.75,;19.51,-6.44,;20.85,-5.67,;20.85,-4.13,;19.51,-3.36,;19.51,-1.82,;18.18,-1.05,;16.84,-1.82,;16.84,-3.36,;18.18,-4.13,;22.17,-6.44,;22.17,-7.98,;23.51,-5.67,;24.84,-6.44,;24.84,-7.98,;26.18,-8.75,;27.51,-7.98,;28.85,-8.74,;30.18,-7.97,;31.51,-8.74,;30.18,-6.43,;26.18,-5.67,;27.51,-6.44,;26.18,-4.13,;22.19,-11.07,;23.51,-10.29,)| Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.04E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301129
((S)-2-((R)-2-((S)-2-(3-(3-chlorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(35.35,-6.6,;34.01,-5.84,;34.02,-4.29,;32.68,-6.61,;31.34,-5.84,;30.01,-6.61,;28.68,-5.84,;28.68,-4.3,;27.34,-3.53,;26.01,-4.3,;26.01,-5.84,;24.68,-3.53,;24.68,-1.99,;23.34,-1.22,;23.34,.32,;22.02,1.09,;20.68,.32,;20.68,-1.22,;22.02,-1.99,;23.35,-4.3,;23.35,-5.84,;24.69,-6.61,;22.02,-6.61,;20.69,-5.84,;19.35,-6.61,;17.95,-5.98,;16.92,-7.13,;17.69,-8.46,;19.2,-8.14,;22.01,-8.15,;23.35,-8.91,;24.68,-8.14,;23.35,-10.45,;22.02,-11.22,;22.02,-12.76,;20.68,-13.52,;20.68,-15.06,;22.01,-15.83,;23.35,-15.05,;24.68,-15.82,;23.34,-13.52,;30.01,-3.53,;31.35,-4.3,;30.01,-1.99,)| Show InChI InChI=1S/C30H36ClN9O4/c31-21-9-4-8-20(14-21)11-12-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-19-6-2-1-3-7-19)28(43)39-23(27(32)42)10-5-13-36-30(33)34/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.01E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301131
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(3-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(O)c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(33.78,-29.06,;32.45,-28.29,;32.46,-26.75,;31.12,-29.06,;29.78,-28.3,;28.45,-29.07,;27.11,-28.3,;27.11,-26.76,;25.78,-25.99,;24.45,-26.75,;24.45,-28.29,;23.12,-25.98,;23.12,-24.44,;21.78,-23.67,;21.78,-22.13,;20.45,-21.36,;19.12,-22.13,;19.12,-23.67,;20.45,-24.44,;21.78,-26.75,;21.79,-28.29,;23.13,-29.06,;20.46,-29.06,;19.12,-28.29,;17.79,-29.06,;16.39,-28.43,;15.36,-29.58,;16.13,-30.91,;17.63,-30.59,;20.45,-30.6,;21.79,-31.36,;23.12,-30.59,;21.79,-32.9,;20.45,-33.67,;20.45,-35.21,;19.11,-35.98,;19.11,-37.51,;20.45,-38.29,;21.78,-37.51,;23.12,-38.27,;21.78,-35.97,;28.45,-25.99,;29.78,-26.76,;28.45,-24.45,)| Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(10-5-13-35-30(32)33)38-28(43)24(15-19-6-2-1-3-7-19)39-29(44)25(16-21-17-34-18-36-21)37-26(41)12-11-20-8-4-9-22(40)14-20/h1-4,6-9,11-12,14,17-18,23-25,40H,5,10,13,15-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301125
((S)-2-((R)-2-((S)-2-cinnamamido-3-(1H-imidazol-5-y...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(13.44,-24.45,;12.1,-23.69,;12.11,-22.15,;10.77,-24.45,;9.42,-23.7,;8.1,-24.47,;6.76,-23.7,;6.76,-22.16,;5.43,-21.39,;4.1,-22.16,;4.1,-23.7,;2.77,-21.38,;2.77,-19.84,;1.43,-19.08,;1.43,-17.54,;.1,-16.76,;-1.24,-17.54,;-1.24,-19.08,;.1,-19.84,;1.43,-22.15,;1.44,-23.69,;2.78,-24.46,;.11,-24.46,;-1.22,-23.69,;-2.55,-24.46,;-3.95,-23.83,;-4.99,-24.98,;-4.22,-26.31,;-2.72,-25.99,;.1,-26,;1.44,-26.76,;2.77,-25.99,;1.44,-28.3,;.11,-29.07,;.11,-30.61,;-1.24,-31.37,;-1.24,-32.91,;.1,-33.68,;1.44,-32.9,;1.43,-31.36,;8.1,-21.39,;9.42,-22.16,;8.1,-19.85,)| Show InChI InChI=1S/C30H37N9O4/c31-27(41)23(12-7-15-35-30(32)33)38-28(42)24(16-21-10-5-2-6-11-21)39-29(43)25(17-22-18-34-19-36-22)37-26(40)14-13-20-8-3-1-4-9-20/h1-6,8-11,13-14,18-19,23-25H,7,12,15-17H2,(H2,31,41)(H,34,36)(H,37,40)(H,38,42)(H,39,43)(H4,32,33,35)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.02E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301131
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(3-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(O)c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(33.78,-29.06,;32.45,-28.29,;32.46,-26.75,;31.12,-29.06,;29.78,-28.3,;28.45,-29.07,;27.11,-28.3,;27.11,-26.76,;25.78,-25.99,;24.45,-26.75,;24.45,-28.29,;23.12,-25.98,;23.12,-24.44,;21.78,-23.67,;21.78,-22.13,;20.45,-21.36,;19.12,-22.13,;19.12,-23.67,;20.45,-24.44,;21.78,-26.75,;21.79,-28.29,;23.13,-29.06,;20.46,-29.06,;19.12,-28.29,;17.79,-29.06,;16.39,-28.43,;15.36,-29.58,;16.13,-30.91,;17.63,-30.59,;20.45,-30.6,;21.79,-31.36,;23.12,-30.59,;21.79,-32.9,;20.45,-33.67,;20.45,-35.21,;19.11,-35.98,;19.11,-37.51,;20.45,-38.29,;21.78,-37.51,;23.12,-38.27,;21.78,-35.97,;28.45,-25.99,;29.78,-26.76,;28.45,-24.45,)| Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(10-5-13-35-30(32)33)38-28(43)24(15-19-6-2-1-3-7-19)39-29(44)25(16-21-17-34-18-36-21)37-26(41)12-11-20-8-4-9-22(40)14-20/h1-4,6-9,11-12,14,17-18,23-25,40H,5,10,13,15-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.77E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301148
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-phenyl...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C\C=C\c1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.27,-4.36,;8.93,-3.61,;8.94,-2.07,;7.59,-4.37,;6.25,-3.62,;4.93,-4.38,;3.59,-3.62,;3.59,-2.08,;2.26,-1.31,;.92,-2.07,;.92,-3.61,;-.41,-1.3,;-.41,.24,;-1.74,1.01,;-1.74,2.55,;-3.07,3.32,;-4.41,2.55,;-4.41,1.01,;-3.07,.24,;-1.74,-2.07,;-1.73,-3.61,;-.39,-4.38,;-3.06,-4.38,;-4.4,-3.61,;-5.73,-4.38,;-7.13,-3.75,;-8.16,-4.9,;-7.4,-6.23,;-5.89,-5.91,;-3.07,-5.92,;-1.73,-6.67,;-.4,-5.91,;-1.73,-8.21,;-3.07,-8.99,;-3.07,-10.53,;-4.4,-11.29,;-5.73,-10.52,;-7.06,-11.29,;-7.06,-12.83,;-5.72,-13.6,;-4.4,-12.82,;4.93,-1.31,;6.25,-2.08,;4.93,.23,)| Show InChI InChI=1S/C31H39N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-7,9-13,19-20,24-26H,8,14-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/b13-7+/t24-,25-,26+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.08E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301150
((S)-2-((R)-2-((S)-2-(4-(4-fluorophenyl)-4-oxobutan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(11.74,-24.83,;10.41,-24.06,;10.42,-22.52,;9.07,-24.83,;7.73,-24.07,;6.41,-24.84,;5.07,-24.07,;5.07,-22.53,;3.74,-21.76,;2.4,-22.53,;2.4,-24.07,;1.08,-21.76,;1.08,-20.22,;-.26,-19.45,;-.26,-17.91,;-1.59,-17.14,;-2.92,-17.91,;-2.92,-19.45,;-1.59,-20.22,;-.26,-22.53,;-.25,-24.07,;1.09,-24.83,;-1.58,-24.83,;-2.91,-24.07,;-4.24,-24.83,;-5.65,-24.2,;-6.68,-25.36,;-5.91,-26.69,;-4.4,-26.36,;-1.59,-26.37,;-.25,-27.13,;1.08,-26.36,;-.25,-28.67,;-1.59,-29.44,;-1.59,-30.98,;-.25,-31.75,;-2.92,-31.75,;-4.25,-30.97,;-5.58,-31.75,;-5.58,-33.29,;-6.92,-34.06,;-4.24,-34.05,;-2.91,-33.28,;6.41,-21.76,;7.73,-22.53,;6.41,-20.22,)| Show InChI InChI=1S/C31H38FN9O5/c32-21-10-8-20(9-11-21)26(42)12-13-27(43)39-25(16-22-17-36-18-38-22)30(46)41-24(15-19-5-2-1-3-6-19)29(45)40-23(28(33)44)7-4-14-37-31(34)35/h1-3,5-6,8-11,17-18,23-25H,4,7,12-16H2,(H2,33,44)(H,36,38)(H,39,43)(H,40,45)(H,41,46)(H4,34,35,37)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 19.3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301127
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(2-met...)Show SMILES COc1ccccc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |r,w:9.10,wU:13.13,34.36,wD:23.24,(7.6,-51.86,;6.26,-51.1,;4.93,-51.87,;4.94,-53.41,;3.6,-54.19,;2.26,-53.41,;2.26,-51.87,;3.6,-51.12,;3.6,-49.58,;4.94,-48.8,;4.94,-47.26,;6.27,-46.5,;3.6,-46.51,;3.61,-44.97,;2.27,-44.2,;.94,-44.97,;-.46,-44.34,;-1.49,-45.49,;-.73,-46.82,;.78,-46.5,;4.94,-44.2,;6.28,-44.97,;4.93,-42.66,;6.26,-41.89,;6.26,-40.35,;4.93,-39.58,;4.93,-38.04,;3.6,-37.27,;2.26,-38.04,;2.26,-39.58,;3.6,-40.35,;7.59,-42.66,;7.59,-44.2,;8.93,-41.89,;10.26,-42.67,;10.26,-44.21,;11.6,-44.97,;12.92,-44.21,;14.26,-44.96,;15.6,-44.2,;16.94,-44.95,;15.61,-42.65,;11.6,-41.89,;12.92,-42.67,;11.6,-40.35,)| Show InChI InChI=1S/C31H39N9O5/c1-45-26-12-6-5-10-21(26)13-14-27(41)38-25(17-22-18-35-19-37-22)30(44)40-24(16-20-8-3-2-4-9-20)29(43)39-23(28(32)42)11-7-15-36-31(33)34/h2-6,8-10,12-14,18-19,23-25H,7,11,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301154
(CHEMBL569086 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2OCOc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.59,-9.4,;32.25,-8.63,;32.26,-7.09,;30.92,-9.4,;29.57,-8.64,;28.25,-9.41,;26.92,-8.64,;26.92,-7.1,;25.58,-6.33,;24.25,-7.1,;24.25,-8.64,;22.92,-6.33,;22.92,-4.79,;21.58,-4.02,;21.58,-2.48,;20.25,-1.71,;18.92,-2.48,;18.92,-4.02,;20.25,-4.79,;21.59,-7.1,;21.6,-8.64,;22.93,-9.4,;20.27,-9.4,;18.93,-8.64,;17.6,-9.4,;16.2,-8.78,;15.16,-9.93,;15.93,-11.25,;17.44,-10.93,;20.25,-10.94,;21.59,-11.71,;22.93,-10.93,;21.59,-13.25,;22.92,-14.01,;22.92,-15.54,;21.59,-16.32,;21.27,-17.83,;19.74,-18,;19.11,-16.59,;20.25,-15.56,;20.24,-14.01,;28.25,-6.33,;29.58,-7.1,;28.25,-4.79,)| Show InChI InChI=1S/C29H35N9O6/c30-25(39)20(7-4-10-34-29(31)32)36-27(41)21(11-17-5-2-1-3-6-17)38-28(42)22(13-19-14-33-15-35-19)37-26(40)18-8-9-23-24(12-18)44-16-43-23/h1-3,5-6,8-9,12,14-15,20-22H,4,7,10-11,13,16H2,(H2,30,39)(H,33,35)(H,36,41)(H,37,40)(H,38,42)(H4,31,32,34)/t20-,21-,22+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.03E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301153
(CHEMBL569222 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc2OCOc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(11.19,-6.85,;9.85,-6.09,;9.86,-4.54,;8.51,-6.86,;7.17,-6.1,;5.85,-6.87,;4.51,-6.1,;4.51,-4.56,;3.18,-3.79,;1.85,-4.56,;1.85,-6.1,;.52,-3.78,;.52,-2.24,;-.82,-1.47,;-.82,.07,;-2.15,.84,;-3.49,.07,;-3.49,-1.47,;-2.15,-2.24,;-.82,-4.55,;-.81,-6.09,;.53,-6.86,;-2.14,-6.86,;-3.47,-6.09,;-4.8,-6.86,;-6.2,-6.23,;-7.24,-7.38,;-6.47,-8.71,;-4.97,-8.39,;-2.15,-8.4,;-.81,-9.16,;.52,-8.39,;-.81,-10.7,;-2.15,-11.47,;-2.15,-13.01,;-3.48,-13.78,;-3.48,-15.31,;-2.15,-16.06,;-2.14,-17.59,;-3.47,-18.37,;-3.78,-19.87,;-5.31,-20.03,;-5.93,-18.63,;-4.8,-17.6,;-4.79,-16.08,;5.85,-3.79,;7.18,-4.56,;5.85,-2.25,)| Show InChI InChI=1S/C33H43N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-3,7-8,12-13,16,18-19,24-26H,4-6,9-11,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/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 | 2.59E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301137
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1 |r,w:7.7,wU:11.10,32.33,wD:21.21,(10.35,-58.71,;9.02,-57.94,;9.02,-56.41,;7.69,-55.64,;7.69,-54.11,;9.03,-53.35,;9.03,-51.82,;7.7,-51.05,;7.7,-49.51,;9.04,-48.74,;6.36,-48.75,;6.38,-47.21,;5.04,-46.44,;3.71,-47.21,;2.31,-46.58,;1.27,-47.73,;2.04,-49.06,;3.55,-48.74,;7.71,-46.44,;9.04,-47.21,;7.7,-44.9,;9.03,-44.13,;9.03,-42.59,;7.69,-41.83,;7.69,-40.29,;6.36,-39.51,;5.03,-40.29,;5.03,-41.83,;6.36,-42.59,;10.36,-44.91,;10.36,-46.45,;11.69,-44.14,;13.03,-44.91,;13.03,-46.45,;14.36,-47.22,;15.69,-46.45,;17.03,-47.21,;18.36,-46.44,;19.7,-47.2,;18.37,-44.9,;14.36,-44.14,;15.69,-44.91,;14.36,-42.6,;10.35,-54.11,;10.35,-55.63,)| Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301147
((S)-2-((R)-2-((S)-2-(2-acetamido-3-phenylacrylamid...)Show SMILES CC(=O)NC(=Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |r,w:5.5,wU:15.15,36.38,wD:25.26,(11.42,-50.05,;10.09,-49.3,;10.08,-47.76,;8.76,-50.07,;7.44,-49.31,;6.1,-50.09,;6.1,-51.63,;4.76,-52.39,;4.76,-53.92,;6.1,-54.7,;7.44,-53.92,;7.43,-52.38,;7.44,-47.77,;8.77,-47.01,;6.1,-47.02,;6.11,-45.48,;4.77,-44.71,;3.44,-45.48,;2.04,-44.85,;1.01,-46,;1.77,-47.33,;3.28,-47.01,;7.44,-44.71,;8.78,-45.48,;7.43,-43.17,;8.76,-42.4,;8.76,-40.86,;7.43,-40.09,;7.43,-38.55,;6.1,-37.78,;4.76,-38.55,;4.76,-40.09,;6.1,-40.86,;10.09,-43.17,;10.09,-44.71,;11.43,-42.4,;12.76,-43.18,;12.76,-44.72,;14.1,-45.48,;15.42,-44.72,;16.76,-45.47,;18.1,-44.71,;19.44,-45.46,;18.11,-43.16,;14.1,-42.4,;15.42,-43.18,;14.1,-40.86,)| Show InChI InChI=1S/C32H40N10O5/c1-20(43)39-25(15-21-9-4-2-5-10-21)29(45)42-27(17-23-18-36-19-38-23)31(47)41-26(16-22-11-6-3-7-12-22)30(46)40-24(28(33)44)13-8-14-37-32(34)35/h2-7,9-12,15,18-19,24,26-27H,8,13-14,16-17H2,1H3,(H2,33,44)(H,36,38)(H,39,43)(H,40,46)(H,41,47)(H,42,45)(H4,34,35,37)/t24-,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.03E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301134
((S)-2-((R)-2-((S)-2-(3-(4-chlorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(35.53,-5.75,;34.19,-4.99,;34.2,-3.45,;32.85,-5.76,;31.51,-5,;30.19,-5.77,;28.85,-5,;28.85,-3.46,;27.52,-2.69,;26.19,-3.46,;26.19,-5,;24.86,-2.68,;24.86,-1.14,;23.52,-.38,;23.52,1.16,;22.19,1.94,;20.85,1.16,;20.85,-.38,;22.19,-1.14,;23.52,-3.45,;23.53,-4.99,;24.87,-5.76,;22.2,-5.76,;20.87,-4.99,;19.54,-5.76,;18.14,-5.13,;17.1,-6.28,;17.87,-7.61,;19.37,-7.29,;22.19,-7.3,;23.53,-8.06,;24.86,-7.29,;23.53,-9.6,;24.85,-10.37,;24.85,-11.9,;23.52,-12.66,;23.52,-14.19,;24.85,-14.96,;24.85,-16.49,;26.18,-14.18,;26.17,-12.65,;30.19,-2.69,;31.52,-3.46,;30.19,-1.15,)| Show InChI InChI=1S/C30H36ClN9O4/c31-21-11-8-19(9-12-21)10-13-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-20-5-2-1-3-6-20)28(43)39-23(27(32)42)7-4-14-36-30(33)34/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | 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 Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301139
(CHEMBL566760 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.19,-5.01,;31.86,-4.24,;31.86,-2.69,;30.53,-5.01,;29.19,-4.24,;27.87,-5.02,;26.53,-4.24,;26.53,-2.7,;25.2,-1.93,;23.86,-2.7,;23.86,-4.24,;22.53,-1.93,;22.53,-.39,;21.19,.38,;21.19,1.92,;19.86,2.69,;18.53,1.92,;18.53,.38,;19.86,-.39,;21.19,-2.7,;21.2,-4.24,;22.54,-5.01,;19.87,-5.01,;18.53,-4.24,;17.2,-5.01,;15.8,-4.38,;14.77,-5.53,;15.53,-6.86,;17.04,-6.54,;19.86,-6.55,;21.2,-7.31,;22.53,-6.54,;21.2,-8.85,;19.86,-9.62,;19.86,-11.16,;21.2,-11.92,;21.21,-13.46,;22.54,-14.23,;22.55,-15.77,;23.88,-13.44,;23.87,-11.91,;22.53,-11.15,;22.53,-9.62,;27.87,-1.94,;29.19,-2.7,;27.87,-.4,)| Show InChI InChI=1S/C32H37N9O5/c33-28(43)25(7-4-12-37-32(34)35)39-30(45)26(13-19-5-2-1-3-6-19)41-31(46)27(16-23-17-36-18-38-23)40-29(44)22-9-8-21-15-24(42)11-10-20(21)14-22/h1-3,5-6,8-11,14-15,17-18,25-27,42H,4,7,12-13,16H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t25-,26-,27+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.76E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301140
((R)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-5-yl)a...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(29.56,-2.79,;28.23,-2.02,;28.23,-.48,;26.89,-2.79,;25.56,-2.03,;24.23,-2.8,;22.89,-2.03,;22.89,-.49,;21.56,.28,;20.22,-.49,;20.22,-2.03,;18.89,.28,;18.89,1.82,;17.56,2.59,;17.56,4.13,;16.23,4.9,;14.89,4.13,;14.89,2.59,;16.23,1.82,;17.56,-.49,;17.57,-2.03,;18.9,-2.8,;16.24,-2.8,;14.9,-2.03,;13.57,-2.8,;12.16,-2.16,;11.13,-3.32,;11.9,-4.64,;13.41,-4.33,;16.23,-4.34,;17.56,-5.1,;18.9,-4.33,;17.56,-6.64,;16.23,-7.41,;16.23,-8.95,;17.56,-9.71,;17.57,-11.25,;16.23,-12.02,;15.92,-13.53,;14.38,-13.7,;13.75,-12.3,;14.89,-11.26,;14.9,-9.71,;24.23,.28,;25.56,-.49,;24.23,1.82,)| Show InChI InChI=1S/C31H37N9O6/c32-28(42)22(7-4-12-36-31(33)34)39-29(43)23(13-19-5-2-1-3-6-19)40-30(44)24(15-21-16-35-17-37-21)38-27(41)11-9-20-8-10-25-26(14-20)46-18-45-25/h1-3,5-6,8-11,14,16-17,22-24H,4,7,12-13,15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.19E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301143
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(pyrid...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccnc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.33,-5.78,;8.99,-5.04,;9,-3.49,;7.65,-5.79,;6.3,-5.04,;4.99,-5.8,;3.64,-5.04,;3.64,-3.5,;2.31,-2.73,;.98,-3.49,;.98,-5.03,;-.35,-2.72,;-.35,-1.18,;-1.69,-.42,;-1.69,1.13,;-3.02,1.9,;-4.35,1.13,;-4.35,-.42,;-3.02,-1.18,;-1.69,-3.49,;-1.68,-5.03,;-.33,-5.79,;-3,-5.79,;-4.34,-5.03,;-5.67,-5.79,;-7.07,-5.16,;-8.1,-6.32,;-7.34,-7.64,;-5.83,-7.32,;-3.02,-7.33,;-1.67,-8.08,;-.34,-7.32,;-1.67,-9.62,;-3.01,-10.4,;-3.01,-11.94,;-4.34,-12.69,;-4.34,-14.23,;-3.01,-15,;-1.68,-14.23,;-1.68,-12.69,;4.99,-2.73,;6.31,-3.5,;4.99,-1.19,)| Show InChI InChI=1S/C29H38N10O4/c30-26(41)22(9-5-13-35-29(31)32)38-27(42)23(14-19-6-2-1-3-7-19)39-28(43)24(15-21-17-34-18-36-21)37-25(40)11-10-20-8-4-12-33-16-20/h1-4,6-8,12,16-18,22-24H,5,9-11,13-15H2,(H2,30,41)(H,34,36)(H,37,40)(H,38,42)(H,39,43)(H4,31,32,35)/t22-,23-,24+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.81E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | 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 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.72 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0140 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301155
(CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wD:11.19,22.30,7.7,44.46,(22.66,-18.05,;24.01,-17.28,;25.34,-18.06,;24,-15.74,;22.67,-14.96,;22.68,-13.42,;21.35,-12.64,;21.36,-11.09,;20.03,-10.32,;18.69,-11.09,;18.69,-12.63,;17.36,-10.31,;17.37,-8.77,;18.7,-8.01,;18.71,-6.47,;20.05,-5.7,;21.38,-6.49,;21.37,-8.02,;20.05,-8.78,;16.02,-11.08,;14.69,-10.3,;14.7,-8.75,;13.35,-11.07,;13.35,-12.61,;14.68,-13.39,;16.09,-12.77,;17.12,-13.92,;16.34,-15.25,;14.83,-14.92,;12.02,-10.29,;10.68,-11.05,;10.68,-12.59,;9.36,-10.27,;8.02,-11.03,;6.7,-10.25,;5.36,-11.02,;4.04,-10.23,;2.69,-10.98,;2.69,-12.52,;4.02,-13.3,;5.36,-12.54,;22.7,-10.33,;22.7,-8.79,;24.03,-11.11,;25.36,-10.35,;25.37,-8.81,;26.71,-8.05,;28.11,-8.66,;29.14,-7.53,;28.38,-6.19,;28.87,-4.72,;27.83,-3.58,;26.33,-3.89,;25.85,-5.35,;26.88,-6.52,;26.68,-11.12,;28.03,-10.36,;26.69,-12.67,)| Show InChI InChI=1S/C43H52N10O5/c44-39(55)35(25-31-27-49-33-17-8-7-16-32(31)33)52-40(56)34(18-10-21-48-43(45)46)51-42(58)37(23-29-13-5-2-6-14-29)53-41(57)36(24-30-20-22-47-26-30)50-38(54)19-9-15-28-11-3-1-4-12-28/h1-8,11-14,16-17,20,22,26-27,34-37,47,49H,9-10,15,18-19,21,23-25H2,(H2,44,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,45,46,48)/t34-,35+,36-,37+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301156
(CHEMBL569694 | Ph(CH2)3CO-His-D-Phe-Arg-NH2)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(44.12,-6.81,;42.78,-6.03,;42.79,-4.5,;41.46,-6.82,;40.13,-6.04,;38.8,-6.82,;37.46,-6.04,;37.46,-4.51,;36.14,-3.73,;34.81,-4.5,;34.81,-6.04,;33.48,-3.73,;33.48,-2.19,;32.14,-1.42,;32.14,.11,;30.82,.89,;29.48,.11,;29.48,-1.42,;30.82,-2.19,;32.14,-4.49,;32.15,-6.03,;33.49,-6.81,;30.83,-6.81,;29.49,-6.03,;28.16,-6.81,;26.76,-6.18,;25.73,-7.33,;26.49,-8.65,;28,-8.34,;30.81,-8.35,;32.15,-9.11,;33.48,-8.34,;32.15,-10.64,;33.48,-11.42,;33.48,-12.95,;34.81,-13.73,;34.81,-15.27,;36.14,-16.04,;37.48,-15.27,;37.48,-13.72,;36.14,-12.95,;38.8,-3.73,;40.13,-4.5,;38.8,-2.2,)| Show InChI InChI=1S/C31H41N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-6,9-12,19-20,24-26H,7-8,13-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 940 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301130
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(3-(tr...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(c1)C(F)(F)F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(9.88,-27.18,;8.54,-26.42,;8.55,-24.87,;7.21,-27.19,;5.87,-26.42,;4.54,-27.19,;3.21,-26.42,;3.21,-24.88,;1.87,-24.11,;.54,-24.88,;.54,-26.42,;-.79,-24.11,;-.79,-22.57,;-2.13,-21.8,;-2.13,-20.26,;-3.46,-19.49,;-4.79,-20.26,;-4.79,-21.8,;-3.46,-22.57,;-2.13,-24.88,;-2.12,-26.42,;-.78,-27.19,;-3.45,-27.19,;-4.78,-26.42,;-6.12,-27.19,;-7.52,-26.56,;-8.55,-27.71,;-7.78,-29.04,;-6.28,-28.72,;-3.46,-28.73,;-2.12,-29.49,;-.79,-28.72,;-2.12,-31.03,;-3.46,-31.8,;-3.46,-33.34,;-4.8,-34.1,;-4.8,-35.64,;-3.46,-36.41,;-2.12,-35.63,;-2.13,-34.1,;-.79,-36.4,;-.78,-37.94,;.54,-35.62,;.54,-37.17,;4.54,-24.11,;5.87,-24.88,;4.54,-22.57,)| Show InChI InChI=1S/C31H36F3N9O4/c32-31(33,34)21-9-4-8-20(14-21)11-12-26(44)41-25(16-22-17-38-18-40-22)29(47)43-24(15-19-6-2-1-3-7-19)28(46)42-23(27(35)45)10-5-13-39-30(36)37/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,35,45)(H,38,40)(H,41,44)(H,42,46)(H,43,47)(H4,36,37,39)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301137
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1 |r,w:7.7,wU:11.10,32.33,wD:21.21,(10.35,-58.71,;9.02,-57.94,;9.02,-56.41,;7.69,-55.64,;7.69,-54.11,;9.03,-53.35,;9.03,-51.82,;7.7,-51.05,;7.7,-49.51,;9.04,-48.74,;6.36,-48.75,;6.38,-47.21,;5.04,-46.44,;3.71,-47.21,;2.31,-46.58,;1.27,-47.73,;2.04,-49.06,;3.55,-48.74,;7.71,-46.44,;9.04,-47.21,;7.7,-44.9,;9.03,-44.13,;9.03,-42.59,;7.69,-41.83,;7.69,-40.29,;6.36,-39.51,;5.03,-40.29,;5.03,-41.83,;6.36,-42.59,;10.36,-44.91,;10.36,-46.45,;11.69,-44.14,;13.03,-44.91,;13.03,-46.45,;14.36,-47.22,;15.69,-46.45,;17.03,-47.21,;18.36,-46.44,;19.7,-47.2,;18.37,-44.9,;14.36,-44.14,;15.69,-44.91,;14.36,-42.6,;10.35,-54.11,;10.35,-55.63,)| Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301138
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-nit...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(30.91,-4.51,;29.58,-3.74,;29.58,-2.2,;28.24,-4.51,;26.91,-3.75,;25.59,-4.52,;24.25,-3.75,;24.25,-2.21,;22.91,-1.44,;21.58,-2.21,;21.58,-3.75,;20.25,-1.44,;20.25,.1,;18.91,.87,;18.91,2.41,;17.58,3.18,;16.24,2.41,;16.24,.87,;17.58,.1,;18.91,-2.2,;18.92,-3.74,;20.25,-4.52,;17.59,-4.52,;16.25,-3.74,;14.92,-4.52,;13.52,-3.88,;12.48,-5.04,;13.25,-6.37,;14.76,-6.05,;17.58,-6.06,;18.91,-6.82,;20.25,-6.05,;18.91,-8.36,;17.58,-9.13,;17.58,-10.67,;16.24,-11.43,;16.24,-12.97,;17.57,-13.74,;18.91,-12.96,;18.91,-11.43,;17.58,-15.29,;16.25,-16.06,;18.92,-16.06,;25.59,-1.44,;26.91,-2.21,;25.59,.1,)| Show InChI InChI=1S/C30H36N10O6/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(12-9-19)40(45)46/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | 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 Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301145
((S)-2-((R)-2-((S)-2-(2-fluoro-3-phenylacrylamido)-...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(F)=Cc1ccccc1)C(N)=O |r,w:34.36,wU:22.30,7.7,wD:11.19,(10.55,-27.38,;9.21,-26.62,;9.22,-25.08,;7.87,-27.38,;6.53,-26.63,;5.2,-27.4,;3.87,-26.63,;3.87,-25.09,;2.54,-24.32,;1.2,-25.09,;1.2,-26.63,;-.13,-24.32,;-.13,-22.78,;-1.47,-22.01,;-1.47,-20.47,;-2.79,-19.7,;-4.13,-20.47,;-4.13,-22.01,;-2.79,-22.78,;-1.46,-25.09,;-1.45,-26.63,;-.11,-27.39,;-2.78,-27.39,;-4.12,-26.63,;-5.45,-27.39,;-6.85,-26.76,;-7.88,-27.92,;-7.12,-29.25,;-5.61,-28.92,;-2.8,-28.93,;-1.45,-29.69,;-.12,-28.92,;-1.45,-31.23,;-.13,-31.99,;-2.79,-32,;-2.79,-33.54,;-4.13,-34.3,;-4.13,-35.84,;-2.8,-36.61,;-1.46,-35.83,;-1.46,-34.3,;5.2,-24.32,;6.53,-25.09,;5.2,-22.78,)| Show InChI InChI=1S/C30H36FN9O4/c31-22(14-19-8-3-1-4-9-19)27(42)39-25(16-21-17-35-18-37-21)29(44)40-24(15-20-10-5-2-6-11-20)28(43)38-23(26(32)41)12-7-13-36-30(33)34/h1-6,8-11,14,17-18,23-25H,7,12-13,15-16H2,(H2,32,41)(H,35,37)(H,38,43)(H,39,42)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.79E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301152
(CHEMBL568965 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,34.35,wU:22.30,7.7,wD:11.19,(19.61,-41.63,;18.27,-40.87,;18.28,-39.33,;16.93,-41.64,;15.59,-40.88,;14.27,-41.65,;12.93,-40.88,;12.93,-39.34,;11.6,-38.57,;10.27,-39.34,;10.27,-40.88,;8.94,-38.56,;8.94,-37.02,;7.6,-36.25,;7.6,-34.71,;6.27,-33.94,;4.93,-34.71,;4.93,-36.25,;6.27,-37.02,;7.6,-39.33,;7.61,-40.87,;8.95,-41.64,;6.28,-41.64,;4.95,-40.87,;3.62,-41.64,;2.22,-41.01,;1.18,-42.16,;1.95,-43.49,;3.45,-43.17,;6.27,-43.18,;7.61,-43.94,;8.94,-43.17,;7.61,-45.48,;6.27,-46.25,;6.27,-47.79,;4.94,-48.56,;4.94,-50.09,;6.27,-50.84,;6.28,-52.37,;4.95,-53.15,;4.64,-54.65,;3.11,-54.81,;2.49,-53.41,;3.62,-52.38,;3.63,-50.86,;14.27,-38.57,;15.6,-39.34,;14.27,-37.03,)| Show InChI InChI=1S/C33H39N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-5,7-9,11-13,16,18-19,24-26H,6,10,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/s1 | 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 Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301153
(CHEMBL569222 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc2OCOc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(11.19,-6.85,;9.85,-6.09,;9.86,-4.54,;8.51,-6.86,;7.17,-6.1,;5.85,-6.87,;4.51,-6.1,;4.51,-4.56,;3.18,-3.79,;1.85,-4.56,;1.85,-6.1,;.52,-3.78,;.52,-2.24,;-.82,-1.47,;-.82,.07,;-2.15,.84,;-3.49,.07,;-3.49,-1.47,;-2.15,-2.24,;-.82,-4.55,;-.81,-6.09,;.53,-6.86,;-2.14,-6.86,;-3.47,-6.09,;-4.8,-6.86,;-6.2,-6.23,;-7.24,-7.38,;-6.47,-8.71,;-4.97,-8.39,;-2.15,-8.4,;-.81,-9.16,;.52,-8.39,;-.81,-10.7,;-2.15,-11.47,;-2.15,-13.01,;-3.48,-13.78,;-3.48,-15.31,;-2.15,-16.06,;-2.14,-17.59,;-3.47,-18.37,;-3.78,-19.87,;-5.31,-20.03,;-5.93,-18.63,;-4.8,-17.6,;-4.79,-16.08,;5.85,-3.79,;7.18,-4.56,;5.85,-2.25,)| Show InChI InChI=1S/C33H43N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-3,7-8,12-13,16,18-19,24-26H,4-6,9-11,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 530 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301129
((S)-2-((R)-2-((S)-2-(3-(3-chlorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(35.35,-6.6,;34.01,-5.84,;34.02,-4.29,;32.68,-6.61,;31.34,-5.84,;30.01,-6.61,;28.68,-5.84,;28.68,-4.3,;27.34,-3.53,;26.01,-4.3,;26.01,-5.84,;24.68,-3.53,;24.68,-1.99,;23.34,-1.22,;23.34,.32,;22.02,1.09,;20.68,.32,;20.68,-1.22,;22.02,-1.99,;23.35,-4.3,;23.35,-5.84,;24.69,-6.61,;22.02,-6.61,;20.69,-5.84,;19.35,-6.61,;17.95,-5.98,;16.92,-7.13,;17.69,-8.46,;19.2,-8.14,;22.01,-8.15,;23.35,-8.91,;24.68,-8.14,;23.35,-10.45,;22.02,-11.22,;22.02,-12.76,;20.68,-13.52,;20.68,-15.06,;22.01,-15.83,;23.35,-15.05,;24.68,-15.82,;23.34,-13.52,;30.01,-3.53,;31.35,-4.3,;30.01,-1.99,)| Show InChI InChI=1S/C30H36ClN9O4/c31-21-9-4-8-20(14-21)11-12-26(41)38-25(16-22-17-35-18-37-22)29(44)40-24(15-19-6-2-1-3-7-19)28(43)39-23(27(32)42)10-5-13-36-30(33)34/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/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 | 3.38E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301127
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(2-met...)Show SMILES COc1ccccc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |r,w:9.10,wU:13.13,34.36,wD:23.24,(7.6,-51.86,;6.26,-51.1,;4.93,-51.87,;4.94,-53.41,;3.6,-54.19,;2.26,-53.41,;2.26,-51.87,;3.6,-51.12,;3.6,-49.58,;4.94,-48.8,;4.94,-47.26,;6.27,-46.5,;3.6,-46.51,;3.61,-44.97,;2.27,-44.2,;.94,-44.97,;-.46,-44.34,;-1.49,-45.49,;-.73,-46.82,;.78,-46.5,;4.94,-44.2,;6.28,-44.97,;4.93,-42.66,;6.26,-41.89,;6.26,-40.35,;4.93,-39.58,;4.93,-38.04,;3.6,-37.27,;2.26,-38.04,;2.26,-39.58,;3.6,-40.35,;7.59,-42.66,;7.59,-44.2,;8.93,-41.89,;10.26,-42.67,;10.26,-44.21,;11.6,-44.97,;12.92,-44.21,;14.26,-44.96,;15.6,-44.2,;16.94,-44.95,;15.61,-42.65,;11.6,-41.89,;12.92,-42.67,;11.6,-40.35,)| Show InChI InChI=1S/C31H39N9O5/c1-45-26-12-6-5-10-21(26)13-14-27(41)38-25(17-22-18-35-19-37-22)30(44)40-24(16-20-8-3-2-4-9-20)29(43)39-23(28(32)42)11-7-15-36-31(33)34/h2-6,8-10,12-14,18-19,23-25H,7,11,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.37E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301136
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(32.3,-28.05,;30.96,-27.29,;30.97,-25.74,;29.63,-28.05,;28.28,-27.3,;26.96,-28.06,;25.63,-27.3,;25.63,-25.76,;24.29,-24.98,;22.96,-25.75,;22.96,-27.29,;21.63,-24.98,;21.63,-23.44,;20.29,-22.67,;20.29,-21.13,;18.96,-20.36,;17.63,-21.13,;17.63,-22.67,;18.96,-23.44,;20.3,-25.75,;20.31,-27.29,;21.64,-28.06,;18.98,-28.06,;17.64,-27.29,;16.31,-28.06,;14.91,-27.43,;13.87,-28.57,;14.64,-29.9,;16.15,-29.59,;18.96,-29.6,;20.3,-30.36,;21.64,-29.58,;20.3,-31.9,;21.63,-32.66,;21.63,-34.2,;20.29,-34.96,;20.29,-36.49,;21.62,-37.25,;21.62,-38.79,;22.95,-36.48,;22.95,-34.95,;26.96,-24.98,;28.29,-25.76,;26.96,-23.44,)| Show InChI InChI=1S/C30H39N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-9,11-12,17-18,23-25,40H,4,7,10,13-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301138
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-nit...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(30.91,-4.51,;29.58,-3.74,;29.58,-2.2,;28.24,-4.51,;26.91,-3.75,;25.59,-4.52,;24.25,-3.75,;24.25,-2.21,;22.91,-1.44,;21.58,-2.21,;21.58,-3.75,;20.25,-1.44,;20.25,.1,;18.91,.87,;18.91,2.41,;17.58,3.18,;16.24,2.41,;16.24,.87,;17.58,.1,;18.91,-2.2,;18.92,-3.74,;20.25,-4.52,;17.59,-4.52,;16.25,-3.74,;14.92,-4.52,;13.52,-3.88,;12.48,-5.04,;13.25,-6.37,;14.76,-6.05,;17.58,-6.06,;18.91,-6.82,;20.25,-6.05,;18.91,-8.36,;17.58,-9.13,;17.58,-10.67,;16.24,-11.43,;16.24,-12.97,;17.57,-13.74,;18.91,-12.96,;18.91,-11.43,;17.58,-15.29,;16.25,-16.06,;18.92,-16.06,;25.59,-1.44,;26.91,-2.21,;25.59,.1,)| Show InChI InChI=1S/C30H36N10O6/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(12-9-19)40(45)46/h1-3,5-6,8-13,17-18,23-25H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.64E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301145
((S)-2-((R)-2-((S)-2-(2-fluoro-3-phenylacrylamido)-...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(F)=Cc1ccccc1)C(N)=O |r,w:34.36,wU:22.30,7.7,wD:11.19,(10.55,-27.38,;9.21,-26.62,;9.22,-25.08,;7.87,-27.38,;6.53,-26.63,;5.2,-27.4,;3.87,-26.63,;3.87,-25.09,;2.54,-24.32,;1.2,-25.09,;1.2,-26.63,;-.13,-24.32,;-.13,-22.78,;-1.47,-22.01,;-1.47,-20.47,;-2.79,-19.7,;-4.13,-20.47,;-4.13,-22.01,;-2.79,-22.78,;-1.46,-25.09,;-1.45,-26.63,;-.11,-27.39,;-2.78,-27.39,;-4.12,-26.63,;-5.45,-27.39,;-6.85,-26.76,;-7.88,-27.92,;-7.12,-29.25,;-5.61,-28.92,;-2.8,-28.93,;-1.45,-29.69,;-.12,-28.92,;-1.45,-31.23,;-.13,-31.99,;-2.79,-32,;-2.79,-33.54,;-4.13,-34.3,;-4.13,-35.84,;-2.8,-36.61,;-1.46,-35.83,;-1.46,-34.3,;5.2,-24.32,;6.53,-25.09,;5.2,-22.78,)| Show InChI InChI=1S/C30H36FN9O4/c31-22(14-19-8-3-1-4-9-19)27(42)39-25(16-21-17-35-18-37-21)29(44)40-24(15-20-10-5-2-6-11-20)28(43)38-23(26(32)41)12-7-13-36-30(33)34/h1-6,8-11,14,17-18,23-25H,7,12-13,15-16H2,(H2,32,41)(H,35,37)(H,38,43)(H,39,42)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.93E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301132
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(3-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(O)c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(19.41,-46.1,;18.08,-45.33,;18.08,-43.79,;16.74,-46.1,;15.41,-45.34,;14.08,-46.11,;12.74,-45.34,;12.74,-43.8,;11.41,-43.03,;10.07,-43.79,;10.07,-45.33,;8.74,-43.02,;8.74,-41.48,;7.41,-40.71,;7.41,-39.17,;6.08,-38.4,;4.74,-39.17,;4.74,-40.71,;6.08,-41.48,;7.41,-43.79,;7.42,-45.33,;8.75,-46.1,;6.09,-46.1,;4.75,-45.33,;3.42,-46.1,;2.01,-45.47,;.98,-46.62,;1.75,-47.95,;3.26,-47.63,;6.08,-47.64,;7.41,-48.4,;8.75,-47.63,;7.41,-49.94,;6.08,-50.71,;6.08,-52.25,;4.74,-53.02,;4.74,-54.56,;6.07,-55.33,;7.41,-54.55,;8.75,-55.31,;7.41,-53.01,;14.08,-43.03,;15.41,-43.8,;14.08,-41.49,)| Show InChI InChI=1S/C30H39N9O5/c31-27(42)23(10-5-13-35-30(32)33)38-28(43)24(15-19-6-2-1-3-7-19)39-29(44)25(16-21-17-34-18-36-21)37-26(41)12-11-20-8-4-9-22(40)14-20/h1-4,6-9,14,17-18,23-25,40H,5,10-13,15-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301133
(CHEMBL568409 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.17,-5.81,;8.83,-5.04,;8.84,-3.5,;7.49,-5.81,;6.15,-5.05,;4.83,-5.82,;3.49,-5.05,;3.49,-3.51,;2.16,-2.74,;.83,-3.51,;.83,-5.05,;-.5,-2.74,;-.5,-1.2,;-1.84,-.43,;-1.84,1.11,;-3.17,1.88,;-4.51,1.11,;-4.51,-.43,;-3.17,-1.2,;-1.84,-3.51,;-1.83,-5.05,;-.49,-5.81,;-3.16,-5.81,;-4.49,-5.05,;-5.82,-5.81,;-7.23,-5.19,;-8.26,-6.33,;-7.49,-7.66,;-5.99,-7.34,;-3.17,-7.35,;-1.83,-8.12,;-.5,-7.34,;-1.83,-9.66,;-3.08,-10.57,;-2.6,-12.03,;-3.37,-13.36,;-2.6,-14.69,;-3.37,-16.02,;-1.06,-14.68,;-.3,-13.36,;-1.06,-12.03,;-.59,-10.57,;4.83,-2.74,;6.15,-3.51,;4.83,-1.2,)| Show InChI InChI=1S/C30H36N10O5/c31-26(42)22(7-4-10-35-30(32)33)38-27(43)23(11-17-5-2-1-3-6-17)39-29(45)25(14-19-15-34-16-36-19)40-28(44)24-13-18-12-20(41)8-9-21(18)37-24/h1-3,5-6,8-9,12-13,15-16,22-23,25,37,41H,4,7,10-11,14H2,(H2,31,42)(H,34,36)(H,38,43)(H,39,45)(H,40,44)(H4,32,33,35)/t22-,23-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301135
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(10.53,-27.66,;9.19,-26.89,;9.2,-25.35,;7.86,-27.66,;6.51,-26.91,;5.19,-27.67,;3.85,-26.91,;3.85,-25.37,;2.52,-24.59,;1.19,-25.36,;1.19,-26.9,;-.14,-24.59,;-.14,-23.05,;-1.48,-22.28,;-1.48,-20.74,;-2.81,-19.97,;-4.14,-20.74,;-4.14,-22.28,;-2.81,-23.05,;-1.47,-25.36,;-1.46,-26.9,;-.13,-27.66,;-2.79,-27.66,;-4.13,-26.9,;-5.46,-27.66,;-6.86,-27.04,;-7.9,-28.18,;-7.13,-29.51,;-5.62,-29.2,;-2.81,-29.2,;-1.47,-29.97,;-.14,-29.19,;-1.47,-31.51,;-.14,-32.27,;-.14,-33.81,;-1.48,-34.56,;-1.48,-36.1,;-.15,-36.86,;-.15,-38.4,;1.18,-36.09,;1.18,-34.56,;5.19,-24.59,;6.52,-25.37,;5.19,-23.05,)| Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-13,17-18,23-25,40H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 83.3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301150
((S)-2-((R)-2-((S)-2-(4-(4-fluorophenyl)-4-oxobutan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(11.74,-24.83,;10.41,-24.06,;10.42,-22.52,;9.07,-24.83,;7.73,-24.07,;6.41,-24.84,;5.07,-24.07,;5.07,-22.53,;3.74,-21.76,;2.4,-22.53,;2.4,-24.07,;1.08,-21.76,;1.08,-20.22,;-.26,-19.45,;-.26,-17.91,;-1.59,-17.14,;-2.92,-17.91,;-2.92,-19.45,;-1.59,-20.22,;-.26,-22.53,;-.25,-24.07,;1.09,-24.83,;-1.58,-24.83,;-2.91,-24.07,;-4.24,-24.83,;-5.65,-24.2,;-6.68,-25.36,;-5.91,-26.69,;-4.4,-26.36,;-1.59,-26.37,;-.25,-27.13,;1.08,-26.36,;-.25,-28.67,;-1.59,-29.44,;-1.59,-30.98,;-.25,-31.75,;-2.92,-31.75,;-4.25,-30.97,;-5.58,-31.75,;-5.58,-33.29,;-6.92,-34.06,;-4.24,-34.05,;-2.91,-33.28,;6.41,-21.76,;7.73,-22.53,;6.41,-20.22,)| Show InChI InChI=1S/C31H38FN9O5/c32-21-10-8-20(9-11-21)26(42)12-13-27(43)39-25(16-22-17-36-18-38-22)30(46)41-24(15-19-5-2-1-3-6-19)29(45)40-23(28(33)44)7-4-14-37-31(34)35/h1-3,5-6,8-11,17-18,23-25H,4,7,12-16H2,(H2,33,44)(H,36,38)(H,39,43)(H,40,45)(H,41,46)(H4,34,35,37)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301156
(CHEMBL569694 | Ph(CH2)3CO-His-D-Phe-Arg-NH2)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(44.12,-6.81,;42.78,-6.03,;42.79,-4.5,;41.46,-6.82,;40.13,-6.04,;38.8,-6.82,;37.46,-6.04,;37.46,-4.51,;36.14,-3.73,;34.81,-4.5,;34.81,-6.04,;33.48,-3.73,;33.48,-2.19,;32.14,-1.42,;32.14,.11,;30.82,.89,;29.48,.11,;29.48,-1.42,;30.82,-2.19,;32.14,-4.49,;32.15,-6.03,;33.49,-6.81,;30.83,-6.81,;29.49,-6.03,;28.16,-6.81,;26.76,-6.18,;25.73,-7.33,;26.49,-8.65,;28,-8.34,;30.81,-8.35,;32.15,-9.11,;33.48,-8.34,;32.15,-10.64,;33.48,-11.42,;33.48,-12.95,;34.81,-13.73,;34.81,-15.27,;36.14,-16.04,;37.48,-15.27,;37.48,-13.72,;36.14,-12.95,;38.8,-3.73,;40.13,-4.5,;38.8,-2.2,)| Show InChI InChI=1S/C31H41N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-6,9-12,19-20,24-26H,7-8,13-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/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 | 4.37E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301126
((S)-2-((R)-2-((S)-2-(3-(2-fluorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(36.25,-25.56,;34.9,-24.8,;34.92,-23.26,;33.57,-25.56,;32.22,-24.81,;30.9,-25.58,;29.56,-24.81,;29.56,-23.27,;28.23,-22.5,;26.9,-23.27,;26.9,-24.81,;25.57,-22.49,;25.57,-20.95,;24.23,-20.19,;24.23,-18.65,;22.9,-17.87,;21.56,-18.65,;21.56,-20.19,;22.9,-20.95,;24.23,-23.26,;24.24,-24.8,;25.58,-25.57,;22.91,-25.57,;21.58,-24.8,;20.25,-25.57,;18.85,-24.94,;17.81,-26.09,;18.58,-27.42,;20.08,-27.1,;22.9,-27.11,;24.24,-27.87,;25.58,-27.1,;24.24,-29.41,;22.91,-30.18,;22.91,-31.72,;21.56,-32.48,;21.56,-34.02,;22.9,-34.79,;24.24,-34.01,;24.23,-32.47,;25.56,-31.7,;30.9,-22.5,;32.22,-23.27,;30.9,-20.96,)| Show InChI InChI=1S/C30H36FN9O4/c31-22-10-5-4-9-20(22)12-13-26(41)38-25(16-21-17-35-18-37-21)29(44)40-24(15-19-7-2-1-3-8-19)28(43)39-23(27(32)42)11-6-14-36-30(33)34/h1-5,7-10,12-13,17-18,23-25H,6,11,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/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 | 2.81E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301130
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(3-(tr...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(c1)C(F)(F)F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(9.88,-27.18,;8.54,-26.42,;8.55,-24.87,;7.21,-27.19,;5.87,-26.42,;4.54,-27.19,;3.21,-26.42,;3.21,-24.88,;1.87,-24.11,;.54,-24.88,;.54,-26.42,;-.79,-24.11,;-.79,-22.57,;-2.13,-21.8,;-2.13,-20.26,;-3.46,-19.49,;-4.79,-20.26,;-4.79,-21.8,;-3.46,-22.57,;-2.13,-24.88,;-2.12,-26.42,;-.78,-27.19,;-3.45,-27.19,;-4.78,-26.42,;-6.12,-27.19,;-7.52,-26.56,;-8.55,-27.71,;-7.78,-29.04,;-6.28,-28.72,;-3.46,-28.73,;-2.12,-29.49,;-.79,-28.72,;-2.12,-31.03,;-3.46,-31.8,;-3.46,-33.34,;-4.8,-34.1,;-4.8,-35.64,;-3.46,-36.41,;-2.12,-35.63,;-2.13,-34.1,;-.79,-36.4,;-.78,-37.94,;.54,-35.62,;.54,-37.17,;4.54,-24.11,;5.87,-24.88,;4.54,-22.57,)| Show InChI InChI=1S/C31H36F3N9O4/c32-31(33,34)21-9-4-8-20(14-21)11-12-26(44)41-25(16-22-17-38-18-40-22)29(47)43-24(15-19-6-2-1-3-7-19)28(46)42-23(27(35)45)10-5-13-39-30(36)37/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,35,45)(H,38,40)(H,41,44)(H,42,46)(H,43,47)(H4,36,37,39)/t23-,24-,25+/m1/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 | 3.03E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301151
(CHEMBL567634 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O |r,w:32.33,34.35,wU:22.30,7.7,wD:11.19,(35.06,-24.82,;33.72,-24.06,;33.73,-22.52,;32.39,-24.83,;31.05,-24.07,;29.73,-24.84,;28.39,-24.07,;28.39,-22.53,;27.06,-21.76,;25.72,-22.53,;25.72,-24.07,;24.39,-21.75,;24.39,-20.21,;23.06,-19.45,;23.06,-17.91,;21.73,-17.13,;20.39,-17.91,;20.39,-19.45,;21.73,-20.21,;23.06,-22.52,;23.07,-24.06,;24.41,-24.83,;21.74,-24.83,;20.4,-24.06,;19.07,-24.83,;17.67,-24.2,;16.64,-25.35,;17.4,-26.68,;18.91,-26.36,;21.73,-26.37,;23.06,-27.13,;24.4,-26.36,;23.06,-28.67,;21.73,-29.44,;21.73,-30.98,;20.39,-31.75,;20.4,-33.28,;19.08,-34.04,;19.09,-35.57,;20.41,-36.34,;21.74,-35.56,;21.73,-34.03,;29.73,-21.76,;31.05,-22.53,;29.73,-20.22,)| Show InChI InChI=1S/C32H39N9O4/c33-29(43)25(15-9-17-37-32(34)35)40-30(44)26(18-23-13-5-2-6-14-23)41-31(45)27(19-24-20-36-21-38-24)39-28(42)16-8-7-12-22-10-3-1-4-11-22/h1-8,10-14,16,20-21,25-27H,9,15,17-19H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t25-,26-,27+/m1/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 | 1.68E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50301152
(CHEMBL568965 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,34.35,wU:22.30,7.7,wD:11.19,(19.61,-41.63,;18.27,-40.87,;18.28,-39.33,;16.93,-41.64,;15.59,-40.88,;14.27,-41.65,;12.93,-40.88,;12.93,-39.34,;11.6,-38.57,;10.27,-39.34,;10.27,-40.88,;8.94,-38.56,;8.94,-37.02,;7.6,-36.25,;7.6,-34.71,;6.27,-33.94,;4.93,-34.71,;4.93,-36.25,;6.27,-37.02,;7.6,-39.33,;7.61,-40.87,;8.95,-41.64,;6.28,-41.64,;4.95,-40.87,;3.62,-41.64,;2.22,-41.01,;1.18,-42.16,;1.95,-43.49,;3.45,-43.17,;6.27,-43.18,;7.61,-43.94,;8.94,-43.17,;7.61,-45.48,;6.27,-46.25,;6.27,-47.79,;4.94,-48.56,;4.94,-50.09,;6.27,-50.84,;6.28,-52.37,;4.95,-53.15,;4.64,-54.65,;3.11,-54.81,;2.49,-53.41,;3.62,-52.38,;3.63,-50.86,;14.27,-38.57,;15.6,-39.34,;14.27,-37.03,)| Show InChI InChI=1S/C33H39N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-5,7-9,11-13,16,18-19,24-26H,6,10,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/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 | 1.95E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301155
(CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wD:11.19,22.30,7.7,44.46,(22.66,-18.05,;24.01,-17.28,;25.34,-18.06,;24,-15.74,;22.67,-14.96,;22.68,-13.42,;21.35,-12.64,;21.36,-11.09,;20.03,-10.32,;18.69,-11.09,;18.69,-12.63,;17.36,-10.31,;17.37,-8.77,;18.7,-8.01,;18.71,-6.47,;20.05,-5.7,;21.38,-6.49,;21.37,-8.02,;20.05,-8.78,;16.02,-11.08,;14.69,-10.3,;14.7,-8.75,;13.35,-11.07,;13.35,-12.61,;14.68,-13.39,;16.09,-12.77,;17.12,-13.92,;16.34,-15.25,;14.83,-14.92,;12.02,-10.29,;10.68,-11.05,;10.68,-12.59,;9.36,-10.27,;8.02,-11.03,;6.7,-10.25,;5.36,-11.02,;4.04,-10.23,;2.69,-10.98,;2.69,-12.52,;4.02,-13.3,;5.36,-12.54,;22.7,-10.33,;22.7,-8.79,;24.03,-11.11,;25.36,-10.35,;25.37,-8.81,;26.71,-8.05,;28.11,-8.66,;29.14,-7.53,;28.38,-6.19,;28.87,-4.72,;27.83,-3.58,;26.33,-3.89,;25.85,-5.35,;26.88,-6.52,;26.68,-11.12,;28.03,-10.36,;26.69,-12.67,)| Show InChI InChI=1S/C43H52N10O5/c44-39(55)35(25-31-27-49-33-17-8-7-16-32(31)33)52-40(56)34(18-10-21-48-43(45)46)51-42(58)37(23-29-13-5-2-6-14-29)53-41(57)36(24-30-20-22-47-26-30)50-38(54)19-9-15-28-11-3-1-4-12-28/h1-8,11-14,16-17,20,22,26-27,34-37,47,49H,9-10,15,18-19,21,23-25H2,(H2,44,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,45,46,48)/t34-,35+,36-,37+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301145
((S)-2-((R)-2-((S)-2-(2-fluoro-3-phenylacrylamido)-...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(F)=Cc1ccccc1)C(N)=O |r,w:34.36,wU:22.30,7.7,wD:11.19,(10.55,-27.38,;9.21,-26.62,;9.22,-25.08,;7.87,-27.38,;6.53,-26.63,;5.2,-27.4,;3.87,-26.63,;3.87,-25.09,;2.54,-24.32,;1.2,-25.09,;1.2,-26.63,;-.13,-24.32,;-.13,-22.78,;-1.47,-22.01,;-1.47,-20.47,;-2.79,-19.7,;-4.13,-20.47,;-4.13,-22.01,;-2.79,-22.78,;-1.46,-25.09,;-1.45,-26.63,;-.11,-27.39,;-2.78,-27.39,;-4.12,-26.63,;-5.45,-27.39,;-6.85,-26.76,;-7.88,-27.92,;-7.12,-29.25,;-5.61,-28.92,;-2.8,-28.93,;-1.45,-29.69,;-.12,-28.92,;-1.45,-31.23,;-.13,-31.99,;-2.79,-32,;-2.79,-33.54,;-4.13,-34.3,;-4.13,-35.84,;-2.8,-36.61,;-1.46,-35.83,;-1.46,-34.3,;5.2,-24.32,;6.53,-25.09,;5.2,-22.78,)| Show InChI InChI=1S/C30H36FN9O4/c31-22(14-19-8-3-1-4-9-19)27(42)39-25(16-21-17-35-18-37-21)29(44)40-24(15-20-10-5-2-6-11-20)28(43)38-23(26(32)41)12-7-13-36-30(33)34/h1-6,8-11,14,17-18,23-25H,7,12-13,15-16H2,(H2,32,41)(H,35,37)(H,38,43)(H,39,42)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301155
(CHEMBL569693 | Ph(CH2)3CO-His-D-Phe-Arg-Trp-NH2)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wD:11.19,22.30,7.7,44.46,(22.66,-18.05,;24.01,-17.28,;25.34,-18.06,;24,-15.74,;22.67,-14.96,;22.68,-13.42,;21.35,-12.64,;21.36,-11.09,;20.03,-10.32,;18.69,-11.09,;18.69,-12.63,;17.36,-10.31,;17.37,-8.77,;18.7,-8.01,;18.71,-6.47,;20.05,-5.7,;21.38,-6.49,;21.37,-8.02,;20.05,-8.78,;16.02,-11.08,;14.69,-10.3,;14.7,-8.75,;13.35,-11.07,;13.35,-12.61,;14.68,-13.39,;16.09,-12.77,;17.12,-13.92,;16.34,-15.25,;14.83,-14.92,;12.02,-10.29,;10.68,-11.05,;10.68,-12.59,;9.36,-10.27,;8.02,-11.03,;6.7,-10.25,;5.36,-11.02,;4.04,-10.23,;2.69,-10.98,;2.69,-12.52,;4.02,-13.3,;5.36,-12.54,;22.7,-10.33,;22.7,-8.79,;24.03,-11.11,;25.36,-10.35,;25.37,-8.81,;26.71,-8.05,;28.11,-8.66,;29.14,-7.53,;28.38,-6.19,;28.87,-4.72,;27.83,-3.58,;26.33,-3.89,;25.85,-5.35,;26.88,-6.52,;26.68,-11.12,;28.03,-10.36,;26.69,-12.67,)| Show InChI InChI=1S/C43H52N10O5/c44-39(55)35(25-31-27-49-33-17-8-7-16-32(31)33)52-40(56)34(18-10-21-48-43(45)46)51-42(58)37(23-29-13-5-2-6-14-29)53-41(57)36(24-30-20-22-47-26-30)50-38(54)19-9-15-28-11-3-1-4-12-28/h1-8,11-14,16-17,20,22,26-27,34-37,47,49H,9-10,15,18-19,21,23-25H2,(H2,44,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,45,46,48)/t34-,35+,36-,37+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.330 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301135
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(10.53,-27.66,;9.19,-26.89,;9.2,-25.35,;7.86,-27.66,;6.51,-26.91,;5.19,-27.67,;3.85,-26.91,;3.85,-25.37,;2.52,-24.59,;1.19,-25.36,;1.19,-26.9,;-.14,-24.59,;-.14,-23.05,;-1.48,-22.28,;-1.48,-20.74,;-2.81,-19.97,;-4.14,-20.74,;-4.14,-22.28,;-2.81,-23.05,;-1.47,-25.36,;-1.46,-26.9,;-.13,-27.66,;-2.79,-27.66,;-4.13,-26.9,;-5.46,-27.66,;-6.86,-27.04,;-7.9,-28.18,;-7.13,-29.51,;-5.62,-29.2,;-2.81,-29.2,;-1.47,-29.97,;-.14,-29.19,;-1.47,-31.51,;-.14,-32.27,;-.14,-33.81,;-1.48,-34.56,;-1.48,-36.1,;-.15,-36.86,;-.15,-38.4,;1.18,-36.09,;1.18,-34.56,;5.19,-24.59,;6.52,-25.37,;5.19,-23.05,)| Show InChI InChI=1S/C30H37N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-13,17-18,23-25,40H,4,7,14-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 935 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301137
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1 |r,w:7.7,wU:11.10,32.33,wD:21.21,(10.35,-58.71,;9.02,-57.94,;9.02,-56.41,;7.69,-55.64,;7.69,-54.11,;9.03,-53.35,;9.03,-51.82,;7.7,-51.05,;7.7,-49.51,;9.04,-48.74,;6.36,-48.75,;6.38,-47.21,;5.04,-46.44,;3.71,-47.21,;2.31,-46.58,;1.27,-47.73,;2.04,-49.06,;3.55,-48.74,;7.71,-46.44,;9.04,-47.21,;7.7,-44.9,;9.03,-44.13,;9.03,-42.59,;7.69,-41.83,;7.69,-40.29,;6.36,-39.51,;5.03,-40.29,;5.03,-41.83,;6.36,-42.59,;10.36,-44.91,;10.36,-46.45,;11.69,-44.14,;13.03,-44.91,;13.03,-46.45,;14.36,-47.22,;15.69,-46.45,;17.03,-47.21,;18.36,-46.44,;19.7,-47.2,;18.37,-44.9,;14.36,-44.14,;15.69,-44.91,;14.36,-42.6,;10.35,-54.11,;10.35,-55.63,)| Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.41E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301142
((R)-2-((R)-2-((S)-2-(3-(2,4-difluorophenyl)acrylam...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(F)cc1F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(33.25,-4.16,;31.92,-3.39,;31.93,-1.84,;30.59,-4.16,;29.25,-3.39,;27.93,-4.17,;26.59,-3.39,;26.59,-1.85,;25.26,-1.08,;23.92,-1.85,;23.92,-3.39,;22.59,-1.08,;22.59,.46,;21.25,1.23,;21.25,2.77,;19.92,3.54,;18.59,2.77,;18.59,1.23,;19.92,.46,;21.25,-1.85,;21.26,-3.39,;22.6,-4.16,;19.93,-4.16,;18.59,-3.39,;17.26,-4.16,;15.86,-3.53,;14.83,-4.68,;15.59,-6.01,;17.1,-5.69,;19.92,-5.7,;21.26,-6.46,;22.59,-5.69,;21.26,-8,;19.92,-8.77,;19.92,-10.31,;18.58,-11.07,;18.58,-12.61,;19.92,-13.39,;19.92,-14.93,;21.26,-12.6,;21.25,-11.07,;22.58,-10.3,;27.93,-1.09,;29.25,-1.85,;27.93,.45,)| Show InChI InChI=1S/C30H35F2N9O4/c31-20-10-8-19(22(32)14-20)9-11-26(42)39-25(15-21-16-36-17-38-21)29(45)41-24(13-18-5-2-1-3-6-18)28(44)40-23(27(33)43)7-4-12-37-30(34)35/h1-3,5-6,8-11,14,16-17,23-25H,4,7,12-13,15H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301149
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-oxo-4-...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.24,-4.13,;31.9,-3.38,;31.91,-1.83,;30.56,-4.14,;29.22,-3.39,;27.89,-4.15,;26.56,-3.39,;26.56,-1.85,;25.22,-1.07,;23.89,-1.84,;23.89,-3.38,;22.56,-1.07,;22.56,.47,;21.22,1.24,;21.22,2.78,;19.89,3.55,;18.56,2.78,;18.56,1.24,;19.89,.47,;21.23,-1.84,;21.24,-3.38,;22.57,-4.15,;19.91,-4.15,;18.57,-3.38,;17.24,-4.15,;15.84,-3.52,;14.8,-4.67,;15.57,-6,;17.08,-5.68,;19.89,-5.69,;21.23,-6.44,;22.57,-5.68,;21.23,-7.98,;19.9,-8.76,;19.9,-10.3,;21.23,-11.06,;18.57,-11.06,;17.24,-10.29,;15.91,-11.05,;15.91,-12.6,;17.25,-13.37,;18.57,-12.59,;27.89,-1.07,;29.22,-1.85,;27.89,.47,)| Show InChI InChI=1S/C31H39N9O5/c32-28(43)23(12-7-15-36-31(33)34)39-29(44)24(16-20-8-3-1-4-9-20)40-30(45)25(17-22-18-35-19-37-22)38-27(42)14-13-26(41)21-10-5-2-6-11-21/h1-6,8-11,18-19,23-25H,7,12-17H2,(H2,32,43)(H,35,37)(H,38,42)(H,39,44)(H,40,45)(H4,33,34,36)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301151
(CHEMBL567634 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O |r,w:32.33,34.35,wU:22.30,7.7,wD:11.19,(35.06,-24.82,;33.72,-24.06,;33.73,-22.52,;32.39,-24.83,;31.05,-24.07,;29.73,-24.84,;28.39,-24.07,;28.39,-22.53,;27.06,-21.76,;25.72,-22.53,;25.72,-24.07,;24.39,-21.75,;24.39,-20.21,;23.06,-19.45,;23.06,-17.91,;21.73,-17.13,;20.39,-17.91,;20.39,-19.45,;21.73,-20.21,;23.06,-22.52,;23.07,-24.06,;24.41,-24.83,;21.74,-24.83,;20.4,-24.06,;19.07,-24.83,;17.67,-24.2,;16.64,-25.35,;17.4,-26.68,;18.91,-26.36,;21.73,-26.37,;23.06,-27.13,;24.4,-26.36,;23.06,-28.67,;21.73,-29.44,;21.73,-30.98,;20.39,-31.75,;20.4,-33.28,;19.08,-34.04,;19.09,-35.57,;20.41,-36.34,;21.74,-35.56,;21.73,-34.03,;29.73,-21.76,;31.05,-22.53,;29.73,-20.22,)| Show InChI InChI=1S/C32H39N9O4/c33-29(43)25(15-9-17-37-32(34)35)40-30(44)26(18-23-13-5-2-6-14-23)41-31(45)27(19-24-20-36-21-38-24)39-28(42)16-8-7-12-22-10-3-1-4-11-22/h1-8,10-14,16,20-21,25-27H,9,15,17-19H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t25-,26-,27+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.83E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301152
(CHEMBL568965 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,34.35,wU:22.30,7.7,wD:11.19,(19.61,-41.63,;18.27,-40.87,;18.28,-39.33,;16.93,-41.64,;15.59,-40.88,;14.27,-41.65,;12.93,-40.88,;12.93,-39.34,;11.6,-38.57,;10.27,-39.34,;10.27,-40.88,;8.94,-38.56,;8.94,-37.02,;7.6,-36.25,;7.6,-34.71,;6.27,-33.94,;4.93,-34.71,;4.93,-36.25,;6.27,-37.02,;7.6,-39.33,;7.61,-40.87,;8.95,-41.64,;6.28,-41.64,;4.95,-40.87,;3.62,-41.64,;2.22,-41.01,;1.18,-42.16,;1.95,-43.49,;3.45,-43.17,;6.27,-43.18,;7.61,-43.94,;8.94,-43.17,;7.61,-45.48,;6.27,-46.25,;6.27,-47.79,;4.94,-48.56,;4.94,-50.09,;6.27,-50.84,;6.28,-52.37,;4.95,-53.15,;4.64,-54.65,;3.11,-54.81,;2.49,-53.41,;3.62,-52.38,;3.63,-50.86,;14.27,-38.57,;15.6,-39.34,;14.27,-37.03,)| Show InChI InChI=1S/C33H39N9O6/c34-30(44)24(10-6-14-38-33(35)36)41-31(45)25(15-21-7-2-1-3-8-21)42-32(46)26(17-23-18-37-19-39-23)40-29(43)11-5-4-9-22-12-13-27-28(16-22)48-20-47-27/h1-5,7-9,11-13,16,18-19,24-26H,6,10,14-15,17,20H2,(H2,34,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)(H4,35,36,38)/t24-,25-,26+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.23E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301154
(CHEMBL569086 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2OCOc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.59,-9.4,;32.25,-8.63,;32.26,-7.09,;30.92,-9.4,;29.57,-8.64,;28.25,-9.41,;26.92,-8.64,;26.92,-7.1,;25.58,-6.33,;24.25,-7.1,;24.25,-8.64,;22.92,-6.33,;22.92,-4.79,;21.58,-4.02,;21.58,-2.48,;20.25,-1.71,;18.92,-2.48,;18.92,-4.02,;20.25,-4.79,;21.59,-7.1,;21.6,-8.64,;22.93,-9.4,;20.27,-9.4,;18.93,-8.64,;17.6,-9.4,;16.2,-8.78,;15.16,-9.93,;15.93,-11.25,;17.44,-10.93,;20.25,-10.94,;21.59,-11.71,;22.93,-10.93,;21.59,-13.25,;22.92,-14.01,;22.92,-15.54,;21.59,-16.32,;21.27,-17.83,;19.74,-18,;19.11,-16.59,;20.25,-15.56,;20.24,-14.01,;28.25,-6.33,;29.58,-7.1,;28.25,-4.79,)| Show InChI InChI=1S/C29H35N9O6/c30-25(39)20(7-4-10-34-29(31)32)36-27(41)21(11-17-5-2-1-3-6-17)38-28(42)22(13-19-14-33-15-35-19)37-26(40)18-8-9-23-24(12-18)44-16-43-23/h1-3,5-6,8-9,12,14-15,20-22H,4,7,10-11,13,16H2,(H2,30,39)(H,33,35)(H,36,41)(H,37,40)(H,38,42)(H4,31,32,34)/t20-,21-,22+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301126
((S)-2-((R)-2-((S)-2-(3-(2-fluorophenyl)acrylamido)...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(36.25,-25.56,;34.9,-24.8,;34.92,-23.26,;33.57,-25.56,;32.22,-24.81,;30.9,-25.58,;29.56,-24.81,;29.56,-23.27,;28.23,-22.5,;26.9,-23.27,;26.9,-24.81,;25.57,-22.49,;25.57,-20.95,;24.23,-20.19,;24.23,-18.65,;22.9,-17.87,;21.56,-18.65,;21.56,-20.19,;22.9,-20.95,;24.23,-23.26,;24.24,-24.8,;25.58,-25.57,;22.91,-25.57,;21.58,-24.8,;20.25,-25.57,;18.85,-24.94,;17.81,-26.09,;18.58,-27.42,;20.08,-27.1,;22.9,-27.11,;24.24,-27.87,;25.58,-27.1,;24.24,-29.41,;22.91,-30.18,;22.91,-31.72,;21.56,-32.48,;21.56,-34.02,;22.9,-34.79,;24.24,-34.01,;24.23,-32.47,;25.56,-31.7,;30.9,-22.5,;32.22,-23.27,;30.9,-20.96,)| Show InChI InChI=1S/C30H36FN9O4/c31-22-10-5-4-9-20(22)12-13-26(41)38-25(16-21-17-35-18-37-21)29(44)40-24(15-19-7-2-1-3-8-19)28(43)39-23(27(32)42)11-6-14-36-30(33)34/h1-5,7-10,12-13,17-18,23-25H,6,11,14-16H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301136
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(32.3,-28.05,;30.96,-27.29,;30.97,-25.74,;29.63,-28.05,;28.28,-27.3,;26.96,-28.06,;25.63,-27.3,;25.63,-25.76,;24.29,-24.98,;22.96,-25.75,;22.96,-27.29,;21.63,-24.98,;21.63,-23.44,;20.29,-22.67,;20.29,-21.13,;18.96,-20.36,;17.63,-21.13,;17.63,-22.67,;18.96,-23.44,;20.3,-25.75,;20.31,-27.29,;21.64,-28.06,;18.98,-28.06,;17.64,-27.29,;16.31,-28.06,;14.91,-27.43,;13.87,-28.57,;14.64,-29.9,;16.15,-29.59,;18.96,-29.6,;20.3,-30.36,;21.64,-29.58,;20.3,-31.9,;21.63,-32.66,;21.63,-34.2,;20.29,-34.96,;20.29,-36.49,;21.62,-37.25,;21.62,-38.79,;22.95,-36.48,;22.95,-34.95,;26.96,-24.98,;28.29,-25.76,;26.96,-23.44,)| Show InChI InChI=1S/C30H39N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-9,11-12,17-18,23-25,40H,4,7,10,13-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301141
((S)-2-((R)-2-((S)-2-(3-(benzo[d][1,3]dioxol-4-yl)p...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2OCOc12)C(N)=O |r,wU:22.30,7.7,wD:11.19,(32.56,-30.51,;31.22,-29.74,;31.23,-28.2,;29.89,-30.51,;28.55,-29.75,;27.22,-30.52,;25.89,-29.75,;25.89,-28.21,;24.55,-27.44,;23.22,-28.21,;23.22,-29.75,;21.89,-27.44,;21.89,-25.9,;20.55,-25.13,;20.55,-23.59,;19.22,-22.82,;17.89,-23.59,;17.89,-25.13,;19.22,-25.9,;20.55,-28.21,;20.56,-29.75,;21.9,-30.52,;19.23,-30.52,;17.9,-29.75,;16.56,-30.52,;15.16,-29.89,;14.13,-31.04,;14.9,-32.36,;16.4,-32.05,;19.22,-32.06,;20.56,-32.82,;21.89,-32.05,;20.56,-34.36,;19.22,-35.13,;19.22,-36.67,;20.55,-37.43,;20.56,-38.96,;19.22,-39.74,;17.88,-38.97,;16.41,-39.45,;15.51,-38.2,;16.41,-36.95,;17.88,-37.42,;27.22,-27.44,;28.55,-28.21,;27.22,-25.9,)| Show InChI InChI=1S/C31H39N9O6/c32-28(42)22(9-5-13-36-31(33)34)39-29(43)23(14-19-6-2-1-3-7-19)40-30(44)24(15-21-16-35-17-37-21)38-26(41)12-11-20-8-4-10-25-27(20)46-18-45-25/h1-4,6-8,10,16-17,22-24H,5,9,11-15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.28E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301146
((S)-2-((R)-2-((S)-2-(2-cyano-3-(4-hydroxyphenyl)ac...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=Cc1ccc(O)cc1)C#N)C(N)=O |r,w:33.35,wU:22.30,7.7,wD:11.19,(35.44,-28.28,;34.1,-27.52,;34.11,-25.98,;32.76,-28.28,;31.41,-27.53,;30.09,-28.3,;28.75,-27.53,;28.75,-25.99,;27.42,-25.22,;26.09,-25.99,;26.09,-27.53,;24.76,-25.21,;24.76,-23.67,;23.42,-22.91,;23.42,-21.37,;22.09,-20.59,;20.75,-21.37,;20.75,-22.91,;22.09,-23.67,;23.43,-25.98,;23.44,-27.52,;24.77,-28.29,;22.11,-28.29,;20.77,-27.52,;19.44,-28.29,;18.04,-27.66,;17,-28.81,;17.77,-30.14,;19.27,-29.82,;22.09,-29.83,;23.43,-30.59,;24.77,-29.82,;23.43,-32.13,;22.1,-32.9,;22.1,-34.44,;20.76,-35.2,;20.76,-36.74,;22.09,-37.51,;22.09,-39.04,;23.43,-36.73,;23.42,-35.19,;24.76,-32.88,;26.09,-33.65,;30.09,-25.22,;31.42,-25.99,;30.09,-23.68,)| Show InChI InChI=1S/C31H36N10O5/c32-16-21(13-20-8-10-23(42)11-9-20)28(44)40-26(15-22-17-36-18-38-22)30(46)41-25(14-19-5-2-1-3-6-19)29(45)39-24(27(33)43)7-4-12-37-31(34)35/h1-3,5-6,8-11,13,17-18,24-26,42H,4,7,12,14-15H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t24-,25-,26+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301147
((S)-2-((R)-2-((S)-2-(2-acetamido-3-phenylacrylamid...)Show SMILES CC(=O)NC(=Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |r,w:5.5,wU:15.15,36.38,wD:25.26,(11.42,-50.05,;10.09,-49.3,;10.08,-47.76,;8.76,-50.07,;7.44,-49.31,;6.1,-50.09,;6.1,-51.63,;4.76,-52.39,;4.76,-53.92,;6.1,-54.7,;7.44,-53.92,;7.43,-52.38,;7.44,-47.77,;8.77,-47.01,;6.1,-47.02,;6.11,-45.48,;4.77,-44.71,;3.44,-45.48,;2.04,-44.85,;1.01,-46,;1.77,-47.33,;3.28,-47.01,;7.44,-44.71,;8.78,-45.48,;7.43,-43.17,;8.76,-42.4,;8.76,-40.86,;7.43,-40.09,;7.43,-38.55,;6.1,-37.78,;4.76,-38.55,;4.76,-40.09,;6.1,-40.86,;10.09,-43.17,;10.09,-44.71,;11.43,-42.4,;12.76,-43.18,;12.76,-44.72,;14.1,-45.48,;15.42,-44.72,;16.76,-45.47,;18.1,-44.71,;19.44,-45.46,;18.11,-43.16,;14.1,-42.4,;15.42,-43.18,;14.1,-40.86,)| Show InChI InChI=1S/C32H40N10O5/c1-20(43)39-25(15-21-9-4-2-5-10-21)29(45)42-27(17-23-18-36-19-38-23)31(47)41-26(16-22-11-6-3-7-12-22)30(46)40-24(28(33)44)13-8-14-37-32(34)35/h2-7,9-12,15,18-19,24,26-27H,8,13-14,16-17H2,1H3,(H2,33,44)(H,36,38)(H,39,43)(H,40,46)(H,41,47)(H,42,45)(H4,34,35,37)/t24-,26-,27+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301149
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-oxo-4-...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.24,-4.13,;31.9,-3.38,;31.91,-1.83,;30.56,-4.14,;29.22,-3.39,;27.89,-4.15,;26.56,-3.39,;26.56,-1.85,;25.22,-1.07,;23.89,-1.84,;23.89,-3.38,;22.56,-1.07,;22.56,.47,;21.22,1.24,;21.22,2.78,;19.89,3.55,;18.56,2.78,;18.56,1.24,;19.89,.47,;21.23,-1.84,;21.24,-3.38,;22.57,-4.15,;19.91,-4.15,;18.57,-3.38,;17.24,-4.15,;15.84,-3.52,;14.8,-4.67,;15.57,-6,;17.08,-5.68,;19.89,-5.69,;21.23,-6.44,;22.57,-5.68,;21.23,-7.98,;19.9,-8.76,;19.9,-10.3,;21.23,-11.06,;18.57,-11.06,;17.24,-10.29,;15.91,-11.05,;15.91,-12.6,;17.25,-13.37,;18.57,-12.59,;27.89,-1.07,;29.22,-1.85,;27.89,.47,)| Show InChI InChI=1S/C31H39N9O5/c32-28(43)23(12-7-15-36-31(33)34)39-29(44)24(16-20-8-3-1-4-9-20)40-30(45)25(17-22-18-35-19-37-22)38-27(42)14-13-26(41)21-10-5-2-6-11-21/h1-6,8-11,18-19,23-25H,7,12-17H2,(H2,32,43)(H,35,37)(H,38,42)(H,39,44)(H,40,45)(H4,33,34,36)/t23-,24-,25+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Mus musculus) | BDBM50301151
(CHEMBL567634 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O |r,w:32.33,34.35,wU:22.30,7.7,wD:11.19,(35.06,-24.82,;33.72,-24.06,;33.73,-22.52,;32.39,-24.83,;31.05,-24.07,;29.73,-24.84,;28.39,-24.07,;28.39,-22.53,;27.06,-21.76,;25.72,-22.53,;25.72,-24.07,;24.39,-21.75,;24.39,-20.21,;23.06,-19.45,;23.06,-17.91,;21.73,-17.13,;20.39,-17.91,;20.39,-19.45,;21.73,-20.21,;23.06,-22.52,;23.07,-24.06,;24.41,-24.83,;21.74,-24.83,;20.4,-24.06,;19.07,-24.83,;17.67,-24.2,;16.64,-25.35,;17.4,-26.68,;18.91,-26.36,;21.73,-26.37,;23.06,-27.13,;24.4,-26.36,;23.06,-28.67,;21.73,-29.44,;21.73,-30.98,;20.39,-31.75,;20.4,-33.28,;19.08,-34.04,;19.09,-35.57,;20.41,-36.34,;21.74,-35.56,;21.73,-34.03,;29.73,-21.76,;31.05,-22.53,;29.73,-20.22,)| Show InChI InChI=1S/C32H39N9O4/c33-29(43)25(15-9-17-37-32(34)35)40-30(44)26(18-23-13-5-2-6-14-23)41-31(45)27(19-24-20-36-21-38-24)39-28(42)16-8-7-12-22-10-3-1-4-11-22/h1-8,10-14,16,20-21,25-27H,9,15,17-19H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t25-,26-,27+/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301125
((S)-2-((R)-2-((S)-2-cinnamamido-3-(1H-imidazol-5-y...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(13.44,-24.45,;12.1,-23.69,;12.11,-22.15,;10.77,-24.45,;9.42,-23.7,;8.1,-24.47,;6.76,-23.7,;6.76,-22.16,;5.43,-21.39,;4.1,-22.16,;4.1,-23.7,;2.77,-21.38,;2.77,-19.84,;1.43,-19.08,;1.43,-17.54,;.1,-16.76,;-1.24,-17.54,;-1.24,-19.08,;.1,-19.84,;1.43,-22.15,;1.44,-23.69,;2.78,-24.46,;.11,-24.46,;-1.22,-23.69,;-2.55,-24.46,;-3.95,-23.83,;-4.99,-24.98,;-4.22,-26.31,;-2.72,-25.99,;.1,-26,;1.44,-26.76,;2.77,-25.99,;1.44,-28.3,;.11,-29.07,;.11,-30.61,;-1.24,-31.37,;-1.24,-32.91,;.1,-33.68,;1.44,-32.9,;1.43,-31.36,;8.1,-21.39,;9.42,-22.16,;8.1,-19.85,)| Show InChI InChI=1S/C30H37N9O4/c31-27(41)23(12-7-15-35-30(32)33)38-28(42)24(16-21-10-5-2-6-11-21)39-29(43)25(17-22-18-34-19-36-22)37-26(40)14-13-20-8-3-1-4-9-20/h1-6,8-11,13-14,18-19,23-25H,7,12,15-17H2,(H2,31,41)(H,34,36)(H,37,40)(H,38,42)(H,39,43)(H4,32,33,35)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301142
((R)-2-((R)-2-((S)-2-(3-(2,4-difluorophenyl)acrylam...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(F)cc1F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(33.25,-4.16,;31.92,-3.39,;31.93,-1.84,;30.59,-4.16,;29.25,-3.39,;27.93,-4.17,;26.59,-3.39,;26.59,-1.85,;25.26,-1.08,;23.92,-1.85,;23.92,-3.39,;22.59,-1.08,;22.59,.46,;21.25,1.23,;21.25,2.77,;19.92,3.54,;18.59,2.77,;18.59,1.23,;19.92,.46,;21.25,-1.85,;21.26,-3.39,;22.6,-4.16,;19.93,-4.16,;18.59,-3.39,;17.26,-4.16,;15.86,-3.53,;14.83,-4.68,;15.59,-6.01,;17.1,-5.69,;19.92,-5.7,;21.26,-6.46,;22.59,-5.69,;21.26,-8,;19.92,-8.77,;19.92,-10.31,;18.58,-11.07,;18.58,-12.61,;19.92,-13.39,;19.92,-14.93,;21.26,-12.6,;21.25,-11.07,;22.58,-10.3,;27.93,-1.09,;29.25,-1.85,;27.93,.45,)| Show InChI InChI=1S/C30H35F2N9O4/c31-20-10-8-19(22(32)14-20)9-11-26(42)39-25(15-21-16-36-17-38-21)29(45)41-24(13-18-5-2-1-3-6-18)28(44)40-23(27(33)43)7-4-12-37-30(34)35/h1-3,5-6,8-11,14,16-17,23-25H,4,7,12-13,15H2,(H2,33,43)(H,36,38)(H,39,42)(H,40,44)(H,41,45)(H4,34,35,37)/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301146
((S)-2-((R)-2-((S)-2-(2-cyano-3-(4-hydroxyphenyl)ac...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=Cc1ccc(O)cc1)C#N)C(N)=O |r,w:33.35,wU:22.30,7.7,wD:11.19,(35.44,-28.28,;34.1,-27.52,;34.11,-25.98,;32.76,-28.28,;31.41,-27.53,;30.09,-28.3,;28.75,-27.53,;28.75,-25.99,;27.42,-25.22,;26.09,-25.99,;26.09,-27.53,;24.76,-25.21,;24.76,-23.67,;23.42,-22.91,;23.42,-21.37,;22.09,-20.59,;20.75,-21.37,;20.75,-22.91,;22.09,-23.67,;23.43,-25.98,;23.44,-27.52,;24.77,-28.29,;22.11,-28.29,;20.77,-27.52,;19.44,-28.29,;18.04,-27.66,;17,-28.81,;17.77,-30.14,;19.27,-29.82,;22.09,-29.83,;23.43,-30.59,;24.77,-29.82,;23.43,-32.13,;22.1,-32.9,;22.1,-34.44,;20.76,-35.2,;20.76,-36.74,;22.09,-37.51,;22.09,-39.04,;23.43,-36.73,;23.42,-35.19,;24.76,-32.88,;26.09,-33.65,;30.09,-25.22,;31.42,-25.99,;30.09,-23.68,)| Show InChI InChI=1S/C31H36N10O5/c32-16-21(13-20-8-10-23(42)11-9-20)28(44)40-26(15-22-17-36-18-38-22)30(46)41-25(14-19-5-2-1-3-6-19)29(45)39-24(27(33)43)7-4-12-37-31(34)35/h1-3,5-6,8-11,13,17-18,24-26,42H,4,7,12,14-15H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t24-,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.28E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301148
((S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(4-phenyl...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C\C=C\c1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.27,-4.36,;8.93,-3.61,;8.94,-2.07,;7.59,-4.37,;6.25,-3.62,;4.93,-4.38,;3.59,-3.62,;3.59,-2.08,;2.26,-1.31,;.92,-2.07,;.92,-3.61,;-.41,-1.3,;-.41,.24,;-1.74,1.01,;-1.74,2.55,;-3.07,3.32,;-4.41,2.55,;-4.41,1.01,;-3.07,.24,;-1.74,-2.07,;-1.73,-3.61,;-.39,-4.38,;-3.06,-4.38,;-4.4,-3.61,;-5.73,-4.38,;-7.13,-3.75,;-8.16,-4.9,;-7.4,-6.23,;-5.89,-5.91,;-3.07,-5.92,;-1.73,-6.67,;-.4,-5.91,;-1.73,-8.21,;-3.07,-8.99,;-3.07,-10.53,;-4.4,-11.29,;-5.73,-10.52,;-7.06,-11.29,;-7.06,-12.83,;-5.72,-13.6,;-4.4,-12.82,;4.93,-1.31,;6.25,-2.08,;4.93,.23,)| Show InChI InChI=1S/C31H39N9O4/c32-28(42)24(14-8-16-36-31(33)34)39-29(43)25(17-22-11-5-2-6-12-22)40-30(44)26(18-23-19-35-20-37-23)38-27(41)15-7-13-21-9-3-1-4-10-21/h1-7,9-13,19-20,24-26H,8,14-18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/b13-7+/t24-,25-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.02E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50301154
(CHEMBL569086 | N-((S)-1-((R)-1-((S)-1-amino-5-guan...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2OCOc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.59,-9.4,;32.25,-8.63,;32.26,-7.09,;30.92,-9.4,;29.57,-8.64,;28.25,-9.41,;26.92,-8.64,;26.92,-7.1,;25.58,-6.33,;24.25,-7.1,;24.25,-8.64,;22.92,-6.33,;22.92,-4.79,;21.58,-4.02,;21.58,-2.48,;20.25,-1.71,;18.92,-2.48,;18.92,-4.02,;20.25,-4.79,;21.59,-7.1,;21.6,-8.64,;22.93,-9.4,;20.27,-9.4,;18.93,-8.64,;17.6,-9.4,;16.2,-8.78,;15.16,-9.93,;15.93,-11.25,;17.44,-10.93,;20.25,-10.94,;21.59,-11.71,;22.93,-10.93,;21.59,-13.25,;22.92,-14.01,;22.92,-15.54,;21.59,-16.32,;21.27,-17.83,;19.74,-18,;19.11,-16.59,;20.25,-15.56,;20.24,-14.01,;28.25,-6.33,;29.58,-7.1,;28.25,-4.79,)| Show InChI InChI=1S/C29H35N9O6/c30-25(39)20(7-4-10-34-29(31)32)36-27(41)21(11-17-5-2-1-3-6-17)38-28(42)22(13-19-14-33-15-35-19)37-26(40)18-8-9-23-24(12-18)44-16-43-23/h1-3,5-6,8-9,12,14-15,20-22H,4,7,10-11,13,16H2,(H2,30,39)(H,33,35)(H,36,41)(H,37,40)(H,38,42)(H4,31,32,34)/t20-,21-,22+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC4R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301128
((R)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(4-met...)Show SMILES COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1 |r,w:7.7,wU:11.10,32.33,wD:21.21,(27.52,-11.06,;26.19,-10.29,;24.86,-11.06,;24.86,-12.6,;23.52,-13.37,;22.19,-12.59,;20.86,-13.36,;19.53,-12.59,;19.53,-11.05,;20.86,-10.28,;18.19,-10.29,;18.19,-8.75,;16.85,-7.98,;15.52,-8.75,;14.12,-8.12,;13.08,-9.27,;13.85,-10.59,;15.36,-10.28,;19.52,-7.98,;20.85,-8.75,;19.51,-6.44,;20.85,-5.67,;20.85,-4.13,;19.51,-3.36,;19.51,-1.82,;18.18,-1.05,;16.84,-1.82,;16.84,-3.36,;18.18,-4.13,;22.17,-6.44,;22.17,-7.98,;23.51,-5.67,;24.84,-6.44,;24.84,-7.98,;26.18,-8.75,;27.51,-7.98,;28.85,-8.74,;30.18,-7.97,;31.51,-8.74,;30.18,-6.43,;26.18,-5.67,;27.51,-6.44,;26.18,-4.13,;22.19,-11.07,;23.51,-10.29,)| Show InChI InChI=1S/C31H39N9O5/c1-45-23-12-9-20(10-13-23)11-14-27(41)38-26(17-22-18-35-19-37-22)30(44)40-25(16-21-6-3-2-4-7-21)29(43)39-24(28(32)42)8-5-15-36-31(33)34/h2-4,6-7,9-14,18-19,24-26H,5,8,15-17H2,1H3,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t24-,25-,26+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301132
((S)-5-guanidino-2-((R)-2-((S)-2-(3-(3-hydroxypheny...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(O)c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(19.41,-46.1,;18.08,-45.33,;18.08,-43.79,;16.74,-46.1,;15.41,-45.34,;14.08,-46.11,;12.74,-45.34,;12.74,-43.8,;11.41,-43.03,;10.07,-43.79,;10.07,-45.33,;8.74,-43.02,;8.74,-41.48,;7.41,-40.71,;7.41,-39.17,;6.08,-38.4,;4.74,-39.17,;4.74,-40.71,;6.08,-41.48,;7.41,-43.79,;7.42,-45.33,;8.75,-46.1,;6.09,-46.1,;4.75,-45.33,;3.42,-46.1,;2.01,-45.47,;.98,-46.62,;1.75,-47.95,;3.26,-47.63,;6.08,-47.64,;7.41,-48.4,;8.75,-47.63,;7.41,-49.94,;6.08,-50.71,;6.08,-52.25,;4.74,-53.02,;4.74,-54.56,;6.07,-55.33,;7.41,-54.55,;8.75,-55.31,;7.41,-53.01,;14.08,-43.03,;15.41,-43.8,;14.08,-41.49,)| Show InChI InChI=1S/C30H39N9O5/c31-27(42)23(10-5-13-35-30(32)33)38-28(43)24(15-19-6-2-1-3-7-19)39-29(44)25(16-21-17-34-18-36-21)37-26(41)12-11-20-8-4-9-22(40)14-20/h1-4,6-9,14,17-18,23-25,40H,5,10-13,15-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301144
((S)-2-((R)-2-((S)-2-(3-(1H-imidazol-4-yl)propanami...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cnc[nH]1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.71,-6.59,;32.38,-5.81,;32.38,-4.27,;31.05,-6.59,;29.71,-5.82,;28.39,-6.59,;27.05,-5.82,;27.05,-4.28,;25.72,-3.51,;24.38,-4.28,;24.38,-5.82,;23.05,-3.51,;23.05,-1.97,;21.71,-1.2,;21.71,.34,;20.38,1.11,;19.04,.34,;19.04,-1.2,;20.38,-1.97,;21.71,-4.27,;21.72,-5.81,;23.06,-6.59,;20.39,-6.59,;19.05,-5.81,;17.72,-6.59,;16.32,-5.95,;15.29,-7.11,;16.05,-8.44,;17.56,-8.12,;20.38,-8.13,;21.72,-8.89,;23.05,-8.12,;21.72,-10.43,;20.38,-11.2,;20.38,-12.74,;21.62,-13.63,;21.15,-15.1,;19.61,-15.1,;19.13,-13.63,;28.39,-3.51,;29.71,-4.28,;28.39,-1.97,)| Show InChI InChI=1S/C27H37N11O4/c28-24(40)20(7-4-10-33-27(29)30)37-25(41)21(11-17-5-2-1-3-6-17)38-26(42)22(12-19-14-32-16-35-19)36-23(39)9-8-18-13-31-15-34-18/h1-3,5-6,13-16,20-22H,4,7-12H2,(H2,28,40)(H,31,34)(H,32,35)(H,36,39)(H,37,41)(H,38,42)(H4,29,30,33)/t20-,21-,22+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.03E+4 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Mus musculus (Mouse)) | BDBM50301146
((S)-2-((R)-2-((S)-2-(2-cyano-3-(4-hydroxyphenyl)ac...)Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=Cc1ccc(O)cc1)C#N)C(N)=O |r,w:33.35,wU:22.30,7.7,wD:11.19,(35.44,-28.28,;34.1,-27.52,;34.11,-25.98,;32.76,-28.28,;31.41,-27.53,;30.09,-28.3,;28.75,-27.53,;28.75,-25.99,;27.42,-25.22,;26.09,-25.99,;26.09,-27.53,;24.76,-25.21,;24.76,-23.67,;23.42,-22.91,;23.42,-21.37,;22.09,-20.59,;20.75,-21.37,;20.75,-22.91,;22.09,-23.67,;23.43,-25.98,;23.44,-27.52,;24.77,-28.29,;22.11,-28.29,;20.77,-27.52,;19.44,-28.29,;18.04,-27.66,;17,-28.81,;17.77,-30.14,;19.27,-29.82,;22.09,-29.83,;23.43,-30.59,;24.77,-29.82,;23.43,-32.13,;22.1,-32.9,;22.1,-34.44,;20.76,-35.2,;20.76,-36.74,;22.09,-37.51,;22.09,-39.04,;23.43,-36.73,;23.42,-35.19,;24.76,-32.88,;26.09,-33.65,;30.09,-25.22,;31.42,-25.99,;30.09,-23.68,)| Show InChI InChI=1S/C31H36N10O5/c32-16-21(13-20-8-10-23(42)11-9-20)28(44)40-26(15-22-17-36-18-38-22)30(46)41-25(14-19-5-2-1-3-6-19)29(45)39-24(27(33)43)7-4-12-37-31(34)35/h1-3,5-6,8-11,13,17-18,24-26,42H,4,7,12,14-15H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t24-,25-,26+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC5R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
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 | 7.20 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC1R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Mus musculus) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61?,62+,65+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Agonistic activity against mouse MC3R |
Bioorg Med Chem Lett 19: 5176-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.025
BindingDB Entry DOI: 10.7270/Q2WD41JX |
More data for this
Ligand-Target Pair | |
Search and Browse
