Found 300 hits with Last Name = 'chandler' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50193829
(CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...)Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50193833
(CHEMBL220018 | N-[(S)-1-((3S,8aS)-3-benzyl-hexahyd...)Show SMILES NC(N)=NCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 |wU:7.7,32.36,26.32,(10.03,-44.77,;8.72,-43.97,;7.37,-44.71,;8.75,-42.43,;7.43,-41.63,;7.46,-40.09,;6.15,-39.29,;6.18,-37.75,;7.51,-36.98,;8.84,-37.75,;8.85,-39.29,;10.18,-36.98,;11.51,-37.74,;12.84,-36.97,;13,-35.46,;14.5,-35.13,;15.28,-36.46,;16.77,-36.78,;17.25,-38.23,;16.22,-39.38,;14.72,-39.06,;14.25,-37.6,;4.88,-36.93,;4.85,-35.42,;3.51,-37.64,;2.21,-36.81,;.85,-37.54,;-.6,-37,;-1.56,-38.23,;-.68,-39.48,;.79,-39.07,;2.09,-39.88,;3.57,-39.24,;4.87,-40.06,;4.89,-41.6,;3.56,-42.38,;3.58,-43.92,;4.93,-44.67,;6.26,-43.87,;6.23,-42.34,)| Show InChI InChI=1S/C31H41N7O2/c32-31(33)34-16-6-13-28(36-29(39)15-14-23-19-35-27-12-5-4-11-26(23)27)30(40)38-21-24-10-7-17-37(24)20-25(38)18-22-8-2-1-3-9-22/h1-5,8-9,11-12,19,24-25,28,35H,6-7,10,13-18,20-21H2,(H,36,39)(H4,32,33,34)/t24-,25-,28-/m0/s1 | PDB
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| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| Article
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC1R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50193831
(CHEMBL218558 | N-(6-((3S,8aS)-3-benzyl-hexahydropy...)Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C31H40N4O2/c36-30(17-16-25-21-33-29-14-7-6-13-28(25)29)32-18-8-2-5-15-31(37)35-23-26-12-9-19-34(26)22-27(35)20-24-10-3-1-4-11-24/h1,3-4,6-7,10-11,13-14,21,26-27,33H,2,5,8-9,12,15-20,22-23H2,(H,32,36)/t26-,27-/m0/s1 | PDB
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PC cid
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PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50193834
(CHEMBL218361 | N-(2-(1H-indol-3-yl)ethyl)-4-((3S,8...)Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24-/m0/s1 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50193830
(1-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)Show SMILES O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C25H29N3O/c29-25(13-12-20-16-26-24-11-5-4-10-23(20)24)28-18-21-9-6-14-27(21)17-22(28)15-19-7-2-1-3-8-19/h1-5,7-8,10-11,16,21-22,26H,6,9,12-15,17-18H2/t21-,22-/m0/s1 | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
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Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50193836
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50193832
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)Show SMILES O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Show InChI InChI=1S/C25H29N3O/c29-25(13-12-20-16-26-24-11-5-4-10-23(20)24)28-18-21-9-6-14-27(21)17-22(28)15-19-7-2-1-3-8-19/h1-5,7-8,10-11,16,21-22,26H,6,9,12-15,17-18H2/t21-,22+/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
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Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50193836
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50184355
(CHEMBL204310 | c[Nle-Gln-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(-1.67,-15.57,;-1.66,-17.11,;-.58,-17.83,;-.58,-19.35,;.64,-20.05,;2.35,-19.43,;2.34,-17.88,;1.01,-17.12,;3.56,-17.11,;4.08,-15.82,;5.6,-15.61,;6.37,-16.95,;7.13,-18.28,;8.62,-17.87,;7.53,-19.77,;9.07,-19.77,;9.84,-21.11,;9.83,-22.65,;11.3,-23.13,;12.2,-21.89,;13.73,-21.74,;14.37,-20.34,;13.47,-19.08,;11.94,-19.24,;11.31,-20.63,;6.59,-20.98,;7.18,-22.41,;8.72,-22.4,;6.77,-23.89,;7.87,-24.98,;9.35,-24.58,;10.44,-25.67,;11.93,-25.27,;13.02,-26.36,;14.51,-25.97,;12.62,-27.85,;5.43,-24.66,;4.11,-23.87,;4.12,-22.33,;2.77,-24.64,;2.76,-26.18,;4.1,-26.95,;5.42,-26.19,;6.75,-26.95,;6.76,-28.5,;8.09,-29.27,;8.09,-30.81,;6.75,-31.59,;5.41,-30.81,;5.41,-29.27,;4.09,-28.49,;1.43,-23.87,;.1,-24.63,;.1,-26.17,;-1.23,-23.86,;-2.43,-24.59,;-3.65,-23.92,;-4.85,-24.64,;-4.82,-26.03,;-6.07,-23.96,;-1.23,-22.33,;.3,-21.57,;1.53,-22.32,;6.38,-14.28,;5.61,-12.94,;7.92,-14.28,)| Show InChI InChI=1S/C46H60N12O8/c1-2-3-12-33-41(62)56-35(17-19-38(47)59)43(64)57-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)55-34(14-8-21-51-46(49)50)42(63)58-37(24-29-25-52-31-13-7-6-11-30(29)31)45(66)54-32(40(48)61)18-20-39(60)53-33/h4-7,9-11,13,15-16,22,25,32-37,52H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,59)(H2,48,61)(H,53,60)(H,54,66)(H,55,65)(H,56,62)(H,57,64)(H,58,63)(H4,49,50,51)/t32-,33-,34-,35-,36+,37-/m0/s1 | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184355
(CHEMBL204310 | c[Nle-Gln-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(-1.67,-15.57,;-1.66,-17.11,;-.58,-17.83,;-.58,-19.35,;.64,-20.05,;2.35,-19.43,;2.34,-17.88,;1.01,-17.12,;3.56,-17.11,;4.08,-15.82,;5.6,-15.61,;6.37,-16.95,;7.13,-18.28,;8.62,-17.87,;7.53,-19.77,;9.07,-19.77,;9.84,-21.11,;9.83,-22.65,;11.3,-23.13,;12.2,-21.89,;13.73,-21.74,;14.37,-20.34,;13.47,-19.08,;11.94,-19.24,;11.31,-20.63,;6.59,-20.98,;7.18,-22.41,;8.72,-22.4,;6.77,-23.89,;7.87,-24.98,;9.35,-24.58,;10.44,-25.67,;11.93,-25.27,;13.02,-26.36,;14.51,-25.97,;12.62,-27.85,;5.43,-24.66,;4.11,-23.87,;4.12,-22.33,;2.77,-24.64,;2.76,-26.18,;4.1,-26.95,;5.42,-26.19,;6.75,-26.95,;6.76,-28.5,;8.09,-29.27,;8.09,-30.81,;6.75,-31.59,;5.41,-30.81,;5.41,-29.27,;4.09,-28.49,;1.43,-23.87,;.1,-24.63,;.1,-26.17,;-1.23,-23.86,;-2.43,-24.59,;-3.65,-23.92,;-4.85,-24.64,;-4.82,-26.03,;-6.07,-23.96,;-1.23,-22.33,;.3,-21.57,;1.53,-22.32,;6.38,-14.28,;5.61,-12.94,;7.92,-14.28,)| Show InChI InChI=1S/C46H60N12O8/c1-2-3-12-33-41(62)56-35(17-19-38(47)59)43(64)57-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)55-34(14-8-21-51-46(49)50)42(63)58-37(24-29-25-52-31-13-7-6-11-30(29)31)45(66)54-32(40(48)61)18-20-39(60)53-33/h4-7,9-11,13,15-16,22,25,32-37,52H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,59)(H2,48,61)(H,53,60)(H,54,66)(H,55,65)(H,56,62)(H,57,64)(H,58,63)(H4,49,50,51)/t32-,33-,34-,35-,36+,37-/m0/s1 | PDB
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| Article
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50184361
(CHEMBL413573 | c[Nle-Val-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O |wU:10.65,39.41,wD:28.30,14.14,4.3,54.62,(-1.6,3.95,;-1.59,2.41,;-.5,1.69,;-.51,.17,;.72,-.53,;2.42,.09,;2.41,1.63,;1.08,2.4,;3.63,2.41,;4.15,3.69,;5.67,3.91,;6.44,2.57,;7.2,1.24,;8.68,1.65,;7.6,-.25,;9.13,-.25,;9.91,-1.59,;9.9,-3.13,;11.37,-3.61,;12.27,-2.37,;13.8,-2.22,;14.44,-.82,;13.53,.43,;12,.28,;11.38,-1.12,;6.66,-1.46,;7.24,-2.89,;8.78,-2.88,;6.84,-4.37,;7.94,-5.46,;9.43,-5.06,;10.51,-6.15,;11.99,-5.75,;13.09,-6.84,;14.58,-6.44,;12.69,-8.33,;5.5,-5.13,;4.18,-4.35,;4.19,-2.81,;2.84,-5.12,;2.83,-6.66,;4.17,-7.43,;5.49,-6.66,;6.82,-7.43,;6.83,-8.98,;8.15,-9.75,;8.15,-11.29,;6.81,-12.06,;5.48,-11.28,;5.48,-9.74,;4.16,-8.97,;1.49,-4.35,;-.64,-4.52,;-.64,-6.03,;-1.75,-3.24,;-1.03,-2.04,;.38,-2.05,;1.6,-2.81,;-3.15,-3.23,;-3.83,-2.01,;-3.86,-4.43,;6.45,5.23,;5.68,6.57,;7.99,5.23,)| Show InChI InChI=1S/C46H61N11O7/c1-4-5-14-34-42(61)57-39(26(2)3)45(64)56-36(23-27-17-18-28-11-6-7-12-29(28)22-27)43(62)54-35(16-10-21-50-46(48)49)41(60)55-37(24-30-25-51-32-15-9-8-13-31(30)32)44(63)53-33(40(47)59)19-20-38(58)52-34/h6-9,11-13,15,17-18,22,25-26,33-37,39,51H,4-5,10,14,16,19-21,23-24H2,1-3H3,(H2,47,59)(H,52,58)(H,53,63)(H,54,62)(H,55,60)(H,56,64)(H,57,61)(H4,48,49,50)/t33-,34-,35-,36+,37-,39-/m0/s1 | PDB
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| Article
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50193835
(1-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21-/m0/s1 | PDB
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PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184361
(CHEMBL413573 | c[Nle-Val-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O |wU:10.65,39.41,wD:28.30,14.14,4.3,54.62,(-1.6,3.95,;-1.59,2.41,;-.5,1.69,;-.51,.17,;.72,-.53,;2.42,.09,;2.41,1.63,;1.08,2.4,;3.63,2.41,;4.15,3.69,;5.67,3.91,;6.44,2.57,;7.2,1.24,;8.68,1.65,;7.6,-.25,;9.13,-.25,;9.91,-1.59,;9.9,-3.13,;11.37,-3.61,;12.27,-2.37,;13.8,-2.22,;14.44,-.82,;13.53,.43,;12,.28,;11.38,-1.12,;6.66,-1.46,;7.24,-2.89,;8.78,-2.88,;6.84,-4.37,;7.94,-5.46,;9.43,-5.06,;10.51,-6.15,;11.99,-5.75,;13.09,-6.84,;14.58,-6.44,;12.69,-8.33,;5.5,-5.13,;4.18,-4.35,;4.19,-2.81,;2.84,-5.12,;2.83,-6.66,;4.17,-7.43,;5.49,-6.66,;6.82,-7.43,;6.83,-8.98,;8.15,-9.75,;8.15,-11.29,;6.81,-12.06,;5.48,-11.28,;5.48,-9.74,;4.16,-8.97,;1.49,-4.35,;-.64,-4.52,;-.64,-6.03,;-1.75,-3.24,;-1.03,-2.04,;.38,-2.05,;1.6,-2.81,;-3.15,-3.23,;-3.83,-2.01,;-3.86,-4.43,;6.45,5.23,;5.68,6.57,;7.99,5.23,)| Show InChI InChI=1S/C46H61N11O7/c1-4-5-14-34-42(61)57-39(26(2)3)45(64)56-36(23-27-17-18-28-11-6-7-12-29(28)22-27)43(62)54-35(16-10-21-50-46(48)49)41(60)55-37(24-30-25-51-32-15-9-8-13-31(30)32)44(63)53-33(40(47)59)19-20-38(58)52-34/h6-9,11-13,15,17-18,22,25-26,33-37,39,51H,4-5,10,14,16,19-21,23-24H2,1-3H3,(H2,47,59)(H,52,58)(H,53,63)(H,54,62)(H,55,60)(H,56,64)(H,57,61)(H4,48,49,50)/t33-,34-,35-,36+,37-,39-/m0/s1 | PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184365
(CHEMBL204263 | c[Nle-Arg-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(N)=O |wU:54.58,10.69,39.41,wD:28.30,14.14,4.3,(.89,-34.09,;.89,-35.64,;1.98,-36.36,;1.98,-37.88,;3.2,-38.59,;4.91,-37.96,;4.91,-36.42,;3.57,-35.65,;6.12,-35.64,;6.65,-34.35,;8.17,-34.14,;8.94,-35.48,;9.7,-36.82,;11.19,-36.4,;10.1,-38.31,;11.64,-38.31,;12.42,-39.65,;12.41,-41.19,;13.87,-41.67,;14.78,-40.43,;16.32,-40.28,;16.96,-38.88,;16.05,-37.62,;14.52,-37.77,;13.89,-39.17,;9.16,-39.52,;9.74,-40.95,;11.3,-40.95,;9.34,-42.43,;10.44,-43.53,;11.93,-43.13,;13.02,-44.22,;14.51,-43.82,;15.61,-44.91,;17.1,-44.52,;15.21,-46.41,;8,-43.21,;6.67,-42.41,;6.68,-40.87,;5.33,-43.18,;5.33,-44.73,;6.66,-45.51,;7.99,-44.74,;9.32,-45.5,;9.32,-47.05,;10.66,-47.82,;10.66,-49.36,;9.32,-50.14,;7.98,-49.36,;7.98,-47.82,;6.66,-47.05,;3.99,-42.41,;2.63,-42.83,;2.32,-44.21,;1.59,-41.86,;.25,-42.27,;-.78,-41.32,;-2.11,-41.73,;-3.09,-40.77,;-4.15,-39.83,;-5.49,-40.24,;-3.84,-38.46,;1.62,-40.48,;2.86,-40.11,;4.08,-40.86,;8.95,-32.8,;8.17,-31.46,;10.49,-32.81,)| Show InChI InChI=1S/C47H64N14O7/c1-2-3-13-34-41(64)58-35(15-8-21-53-46(49)50)42(65)60-37(24-27-17-18-28-10-4-5-11-29(28)23-27)44(67)59-36(16-9-22-54-47(51)52)43(66)61-38(25-30-26-55-32-14-7-6-12-31(30)32)45(68)57-33(40(48)63)19-20-39(62)56-34/h4-7,10-12,14,17-18,23,26,33-38,55H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,48,63)(H,56,62)(H,57,68)(H,58,64)(H,59,67)(H,60,65)(H,61,66)(H4,49,50,53)(H4,51,52,54)/t33-,34-,35+,36-,37+,38-/m0/s1 | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184356
(CHEMBL425591 | c[Nle-His-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:39.41,10.69,wD:14.14,54.58,28.30,4.3,(-1.57,-31.51,;-1.57,-33.05,;-.48,-33.77,;-.49,-35.29,;.74,-35.99,;2.44,-35.37,;2.43,-33.83,;1.1,-33.07,;3.65,-33.05,;4.17,-31.77,;5.69,-31.56,;6.46,-32.89,;7.21,-34.22,;8.7,-33.81,;7.62,-35.71,;9.15,-35.71,;9.92,-37.05,;9.92,-38.59,;11.38,-39.07,;12.28,-37.83,;13.81,-37.68,;14.45,-36.28,;13.54,-35.02,;12.02,-35.18,;11.39,-36.57,;6.68,-36.92,;7.26,-38.35,;8.8,-38.34,;6.86,-39.83,;7.95,-40.92,;9.44,-40.52,;10.52,-41.6,;12.01,-41.21,;13.1,-42.3,;14.59,-41.9,;12.7,-43.79,;5.52,-40.59,;4.2,-39.81,;4.2,-38.27,;2.86,-40.58,;2.85,-42.12,;4.19,-42.89,;5.51,-42.12,;6.84,-42.88,;6.84,-44.43,;8.17,-45.2,;8.17,-46.74,;6.83,-47.51,;5.5,-46.74,;5.5,-45.2,;4.18,-44.43,;1.52,-39.8,;.18,-40.57,;.17,-42.11,;-1.15,-39.79,;-2.48,-40.56,;-3.81,-39.79,;-3.98,-38.25,;-5.49,-37.93,;-6.27,-39.26,;-5.23,-40.41,;-1.16,-38.25,;.39,-37.51,;1.62,-38.26,;6.47,-30.22,;5.69,-28.89,;8.01,-30.23,)| Show InChI InChI=1S/C47H59N13O7/c1-2-3-12-35-42(63)60-39(23-31-25-51-26-54-31)46(67)58-37(21-27-15-16-28-9-4-5-10-29(28)20-27)44(65)57-36(14-8-19-52-47(49)50)43(64)59-38(22-30-24-53-33-13-7-6-11-32(30)33)45(66)56-34(41(48)62)17-18-40(61)55-35/h4-7,9-11,13,15-16,20,24-26,34-39,53H,2-3,8,12,14,17-19,21-23H2,1H3,(H2,48,62)(H,51,54)(H,55,61)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,63)(H4,49,50,52)/t34-,35-,36-,37+,38-,39-/m0/s1 | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50184365
(CHEMBL204263 | c[Nle-Arg-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(N)=O |wU:54.58,10.69,39.41,wD:28.30,14.14,4.3,(.89,-34.09,;.89,-35.64,;1.98,-36.36,;1.98,-37.88,;3.2,-38.59,;4.91,-37.96,;4.91,-36.42,;3.57,-35.65,;6.12,-35.64,;6.65,-34.35,;8.17,-34.14,;8.94,-35.48,;9.7,-36.82,;11.19,-36.4,;10.1,-38.31,;11.64,-38.31,;12.42,-39.65,;12.41,-41.19,;13.87,-41.67,;14.78,-40.43,;16.32,-40.28,;16.96,-38.88,;16.05,-37.62,;14.52,-37.77,;13.89,-39.17,;9.16,-39.52,;9.74,-40.95,;11.3,-40.95,;9.34,-42.43,;10.44,-43.53,;11.93,-43.13,;13.02,-44.22,;14.51,-43.82,;15.61,-44.91,;17.1,-44.52,;15.21,-46.41,;8,-43.21,;6.67,-42.41,;6.68,-40.87,;5.33,-43.18,;5.33,-44.73,;6.66,-45.51,;7.99,-44.74,;9.32,-45.5,;9.32,-47.05,;10.66,-47.82,;10.66,-49.36,;9.32,-50.14,;7.98,-49.36,;7.98,-47.82,;6.66,-47.05,;3.99,-42.41,;2.63,-42.83,;2.32,-44.21,;1.59,-41.86,;.25,-42.27,;-.78,-41.32,;-2.11,-41.73,;-3.09,-40.77,;-4.15,-39.83,;-5.49,-40.24,;-3.84,-38.46,;1.62,-40.48,;2.86,-40.11,;4.08,-40.86,;8.95,-32.8,;8.17,-31.46,;10.49,-32.81,)| Show InChI InChI=1S/C47H64N14O7/c1-2-3-13-34-41(64)58-35(15-8-21-53-46(49)50)42(65)60-37(24-27-17-18-28-10-4-5-11-29(28)23-27)44(67)59-36(16-9-22-54-47(51)52)43(66)61-38(25-30-26-55-32-14-7-6-12-31(30)32)45(68)57-33(40(48)63)19-20-39(62)56-34/h4-7,10-12,14,17-18,23,26,33-38,55H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,48,63)(H,56,62)(H,57,68)(H,58,64)(H,59,67)(H,60,65)(H,61,66)(H4,49,50,53)(H4,51,52,54)/t33-,34-,35+,36-,37+,38-/m0/s1 | PDB
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PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50261670
((3R,6S,9S,12R,15S)-12-benzyl-9-(3-carbamimidamidop...)Show SMILES NC([NH-])=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O |r,w:3.3| Show InChI InChI=1S/C42H47N13O8S/c43-36(56)34-21-64-35-13-12-26(55(62)63)18-28(35)37(57)51-33(17-25-20-46-22-49-25)41(61)52-31(15-23-7-2-1-3-8-23)39(59)50-30(11-6-14-47-42(44)45)38(58)53-32(40(60)54-34)16-24-19-48-29-10-5-4-9-27(24)29/h1-5,7-10,12-13,18-20,22,30-34,48H,6,11,14-17,21H2,(H12,43,44,45,46,47,49,50,51,52,53,54,56,57,58,59,60,61)/t30-,31+,32-,33-,34?/m0/s1 | PDB
KEGG
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UniChem
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PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 1 receptor expressed in HEK293 cells |
J Med Chem 51: 2701-7 (2008)
Article DOI: 10.1021/jm701181n
BindingDB Entry DOI: 10.7270/Q27P9094 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184360
(CHEMBL204864 | c[Nle-Nle-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCC)NC1=O)C(N)=O |wU:39.41,10.66,wD:14.14,4.3,54.58,28.30,(-.75,-16.21,;-.75,-17.75,;.34,-18.47,;.33,-19.99,;1.56,-20.69,;3.26,-20.07,;3.25,-18.52,;1.92,-17.76,;4.47,-17.75,;5,-16.46,;6.52,-16.25,;7.28,-17.59,;8.04,-18.92,;9.53,-18.51,;8.44,-20.41,;9.98,-20.41,;10.75,-21.75,;10.75,-23.29,;12.21,-23.77,;13.11,-22.53,;14.64,-22.38,;15.29,-20.98,;14.38,-19.72,;12.85,-19.88,;12.22,-21.27,;7.5,-21.62,;8.09,-23.05,;9.63,-23.04,;7.69,-24.53,;8.78,-25.62,;10.27,-25.22,;11.35,-26.31,;12.84,-25.91,;13.93,-27,;15.42,-26.61,;13.54,-28.49,;6.35,-25.3,;5.02,-24.51,;5.03,-22.97,;3.68,-25.28,;3.68,-26.82,;5.01,-27.59,;6.33,-26.83,;7.67,-27.59,;7.67,-29.14,;9,-29.91,;9,-31.45,;7.66,-32.23,;6.32,-31.45,;6.33,-29.91,;5,-29.13,;2.34,-24.51,;1.01,-25.27,;1.01,-26.81,;-.32,-24.5,;-1.65,-25.27,;-2.97,-24.5,;-4.3,-25.27,;-5.63,-24.5,;-.32,-22.97,;1.22,-22.21,;2.44,-22.97,;7.29,-14.92,;6.52,-13.58,;8.83,-14.92,)| Show InChI InChI=1S/C47H63N11O7/c1-3-5-15-35-42(61)55-36(16-6-4-2)43(62)57-38(25-28-19-20-29-12-7-8-13-30(29)24-28)45(64)56-37(18-11-23-51-47(49)50)44(63)58-39(26-31-27-52-33-17-10-9-14-32(31)33)46(65)54-34(41(48)60)21-22-40(59)53-35/h7-10,12-14,17,19-20,24,27,34-39,52H,3-6,11,15-16,18,21-23,25-26H2,1-2H3,(H2,48,60)(H,53,59)(H,54,65)(H,55,61)(H,56,64)(H,57,62)(H,58,63)(H4,49,50,51)/t34-,35-,36-,37-,38+,39-/m0/s1 | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50193832
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)Show SMILES O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Show InChI InChI=1S/C25H29N3O/c29-25(13-12-20-16-26-24-11-5-4-10-23(20)24)28-18-21-9-6-14-27(21)17-22(28)15-19-7-2-1-3-8-19/h1-5,7-8,10-11,16,21-22,26H,6,9,12-15,17-18H2/t21-,22+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50193836
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1 | PDB
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PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50184360
(CHEMBL204864 | c[Nle-Nle-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCC)NC1=O)C(N)=O |wU:39.41,10.66,wD:14.14,4.3,54.58,28.30,(-.75,-16.21,;-.75,-17.75,;.34,-18.47,;.33,-19.99,;1.56,-20.69,;3.26,-20.07,;3.25,-18.52,;1.92,-17.76,;4.47,-17.75,;5,-16.46,;6.52,-16.25,;7.28,-17.59,;8.04,-18.92,;9.53,-18.51,;8.44,-20.41,;9.98,-20.41,;10.75,-21.75,;10.75,-23.29,;12.21,-23.77,;13.11,-22.53,;14.64,-22.38,;15.29,-20.98,;14.38,-19.72,;12.85,-19.88,;12.22,-21.27,;7.5,-21.62,;8.09,-23.05,;9.63,-23.04,;7.69,-24.53,;8.78,-25.62,;10.27,-25.22,;11.35,-26.31,;12.84,-25.91,;13.93,-27,;15.42,-26.61,;13.54,-28.49,;6.35,-25.3,;5.02,-24.51,;5.03,-22.97,;3.68,-25.28,;3.68,-26.82,;5.01,-27.59,;6.33,-26.83,;7.67,-27.59,;7.67,-29.14,;9,-29.91,;9,-31.45,;7.66,-32.23,;6.32,-31.45,;6.33,-29.91,;5,-29.13,;2.34,-24.51,;1.01,-25.27,;1.01,-26.81,;-.32,-24.5,;-1.65,-25.27,;-2.97,-24.5,;-4.3,-25.27,;-5.63,-24.5,;-.32,-22.97,;1.22,-22.21,;2.44,-22.97,;7.29,-14.92,;6.52,-13.58,;8.83,-14.92,)| Show InChI InChI=1S/C47H63N11O7/c1-3-5-15-35-42(61)55-36(16-6-4-2)43(62)57-38(25-28-19-20-29-12-7-8-13-30(29)24-28)45(64)56-37(18-11-23-51-47(49)50)44(63)58-39(26-31-27-52-33-17-10-9-14-32(31)33)46(65)54-34(41(48)60)21-22-40(59)53-35/h7-10,12-14,17,19-20,24,27,34-39,52H,3-6,11,15-16,18,21-23,25-26H2,1-2H3,(H2,48,60)(H,53,59)(H,54,65)(H,55,61)(H,56,64)(H,57,62)(H,58,63)(H4,49,50,51)/t34-,35-,36-,37-,38+,39-/m0/s1 | PDB
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PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 5462-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50205745
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)| Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1 | PDB
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Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC5R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184366
(CHEMBL203760 | c[Nle-Pro-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O |wU:10.66,39.41,wD:28.30,54.62,14.14,4.3,(-2.1,4.1,;-2.1,2.56,;-1.01,1.84,;-1.02,.32,;.21,-.38,;1.91,.24,;1.91,1.78,;.57,2.54,;3.12,2.56,;3.64,3.84,;5.16,4.05,;5.93,2.72,;6.69,1.39,;8.17,1.8,;7.09,-.09,;8.63,-.09,;9.4,-1.43,;9.39,-2.97,;10.85,-3.46,;11.76,-2.22,;13.28,-2.07,;13.92,-.67,;13.02,.59,;11.49,.43,;10.86,-.96,;6.15,-1.31,;6.74,-2.74,;8.28,-2.73,;6.33,-4.22,;7.42,-5.3,;8.91,-4.91,;10,-5.99,;11.48,-5.6,;12.57,-6.69,;14.06,-6.29,;12.17,-8.17,;4.99,-4.98,;3.66,-4.2,;3.67,-2.66,;2.33,-4.96,;2.32,-6.5,;3.65,-7.28,;4.98,-6.51,;6.31,-7.27,;6.31,-8.82,;7.64,-9.59,;7.64,-11.12,;6.3,-11.9,;4.97,-11.12,;4.98,-9.58,;3.65,-8.81,;.99,-4.19,;-.34,-4.96,;-.37,-6.5,;-1.87,-4,;-3.41,-4.17,;-4.04,-2.76,;-2.89,-1.72,;-1.56,-2.49,;-.13,-1.9,;1.09,-2.65,;5.94,5.38,;5.17,6.72,;7.48,5.38,)| Show InChI InChI=1S/C46H59N11O7/c1-2-3-13-35-45(64)57-22-9-16-38(57)44(63)56-36(24-27-17-18-28-10-4-5-11-29(28)23-27)42(61)54-34(15-8-21-50-46(48)49)41(60)55-37(25-30-26-51-32-14-7-6-12-31(30)32)43(62)53-33(40(47)59)19-20-39(58)52-35/h4-7,10-12,14,17-18,23,26,33-38,51H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,47,59)(H,52,58)(H,53,62)(H,54,61)(H,55,60)(H,56,63)(H4,48,49,50)/t33-,34-,35-,36+,37-,38-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50184356
(CHEMBL425591 | c[Nle-His-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:39.41,10.69,wD:14.14,54.58,28.30,4.3,(-1.57,-31.51,;-1.57,-33.05,;-.48,-33.77,;-.49,-35.29,;.74,-35.99,;2.44,-35.37,;2.43,-33.83,;1.1,-33.07,;3.65,-33.05,;4.17,-31.77,;5.69,-31.56,;6.46,-32.89,;7.21,-34.22,;8.7,-33.81,;7.62,-35.71,;9.15,-35.71,;9.92,-37.05,;9.92,-38.59,;11.38,-39.07,;12.28,-37.83,;13.81,-37.68,;14.45,-36.28,;13.54,-35.02,;12.02,-35.18,;11.39,-36.57,;6.68,-36.92,;7.26,-38.35,;8.8,-38.34,;6.86,-39.83,;7.95,-40.92,;9.44,-40.52,;10.52,-41.6,;12.01,-41.21,;13.1,-42.3,;14.59,-41.9,;12.7,-43.79,;5.52,-40.59,;4.2,-39.81,;4.2,-38.27,;2.86,-40.58,;2.85,-42.12,;4.19,-42.89,;5.51,-42.12,;6.84,-42.88,;6.84,-44.43,;8.17,-45.2,;8.17,-46.74,;6.83,-47.51,;5.5,-46.74,;5.5,-45.2,;4.18,-44.43,;1.52,-39.8,;.18,-40.57,;.17,-42.11,;-1.15,-39.79,;-2.48,-40.56,;-3.81,-39.79,;-3.98,-38.25,;-5.49,-37.93,;-6.27,-39.26,;-5.23,-40.41,;-1.16,-38.25,;.39,-37.51,;1.62,-38.26,;6.47,-30.22,;5.69,-28.89,;8.01,-30.23,)| Show InChI InChI=1S/C47H59N13O7/c1-2-3-12-35-42(63)60-39(23-31-25-51-26-54-31)46(67)58-37(21-27-15-16-28-9-4-5-10-29(28)20-27)44(65)57-36(14-8-19-52-47(49)50)43(64)59-38(22-30-24-53-33-13-7-6-11-32(30)33)45(66)56-34(41(48)62)17-18-40(61)55-35/h4-7,9-11,13,15-16,20,24-26,34-39,53H,2-3,8,12,14,17-19,21-23H2,1H3,(H2,48,62)(H,51,54)(H,55,61)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,63)(H4,49,50,52)/t34-,35-,36-,37+,38-,39-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50184366
(CHEMBL203760 | c[Nle-Pro-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O |wU:10.66,39.41,wD:28.30,54.62,14.14,4.3,(-2.1,4.1,;-2.1,2.56,;-1.01,1.84,;-1.02,.32,;.21,-.38,;1.91,.24,;1.91,1.78,;.57,2.54,;3.12,2.56,;3.64,3.84,;5.16,4.05,;5.93,2.72,;6.69,1.39,;8.17,1.8,;7.09,-.09,;8.63,-.09,;9.4,-1.43,;9.39,-2.97,;10.85,-3.46,;11.76,-2.22,;13.28,-2.07,;13.92,-.67,;13.02,.59,;11.49,.43,;10.86,-.96,;6.15,-1.31,;6.74,-2.74,;8.28,-2.73,;6.33,-4.22,;7.42,-5.3,;8.91,-4.91,;10,-5.99,;11.48,-5.6,;12.57,-6.69,;14.06,-6.29,;12.17,-8.17,;4.99,-4.98,;3.66,-4.2,;3.67,-2.66,;2.33,-4.96,;2.32,-6.5,;3.65,-7.28,;4.98,-6.51,;6.31,-7.27,;6.31,-8.82,;7.64,-9.59,;7.64,-11.12,;6.3,-11.9,;4.97,-11.12,;4.98,-9.58,;3.65,-8.81,;.99,-4.19,;-.34,-4.96,;-.37,-6.5,;-1.87,-4,;-3.41,-4.17,;-4.04,-2.76,;-2.89,-1.72,;-1.56,-2.49,;-.13,-1.9,;1.09,-2.65,;5.94,5.38,;5.17,6.72,;7.48,5.38,)| Show InChI InChI=1S/C46H59N11O7/c1-2-3-13-35-45(64)57-22-9-16-38(57)44(63)56-36(24-27-17-18-28-10-4-5-11-29(28)23-27)42(61)54-34(15-8-21-50-46(48)49)41(60)55-37(25-30-26-51-32-14-7-6-12-31(30)32)43(62)53-33(40(47)59)19-20-39(58)52-35/h4-7,10-12,14,17-18,23,26,33-38,51H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,47,59)(H,52,58)(H,53,62)(H,54,61)(H,55,60)(H,56,63)(H4,48,49,50)/t33-,34-,35-,36+,37-,38-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50184360
(CHEMBL204864 | c[Nle-Nle-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCC)NC1=O)C(N)=O |wU:39.41,10.66,wD:14.14,4.3,54.58,28.30,(-.75,-16.21,;-.75,-17.75,;.34,-18.47,;.33,-19.99,;1.56,-20.69,;3.26,-20.07,;3.25,-18.52,;1.92,-17.76,;4.47,-17.75,;5,-16.46,;6.52,-16.25,;7.28,-17.59,;8.04,-18.92,;9.53,-18.51,;8.44,-20.41,;9.98,-20.41,;10.75,-21.75,;10.75,-23.29,;12.21,-23.77,;13.11,-22.53,;14.64,-22.38,;15.29,-20.98,;14.38,-19.72,;12.85,-19.88,;12.22,-21.27,;7.5,-21.62,;8.09,-23.05,;9.63,-23.04,;7.69,-24.53,;8.78,-25.62,;10.27,-25.22,;11.35,-26.31,;12.84,-25.91,;13.93,-27,;15.42,-26.61,;13.54,-28.49,;6.35,-25.3,;5.02,-24.51,;5.03,-22.97,;3.68,-25.28,;3.68,-26.82,;5.01,-27.59,;6.33,-26.83,;7.67,-27.59,;7.67,-29.14,;9,-29.91,;9,-31.45,;7.66,-32.23,;6.32,-31.45,;6.33,-29.91,;5,-29.13,;2.34,-24.51,;1.01,-25.27,;1.01,-26.81,;-.32,-24.5,;-1.65,-25.27,;-2.97,-24.5,;-4.3,-25.27,;-5.63,-24.5,;-.32,-22.97,;1.22,-22.21,;2.44,-22.97,;7.29,-14.92,;6.52,-13.58,;8.83,-14.92,)| Show InChI InChI=1S/C47H63N11O7/c1-3-5-15-35-42(61)55-36(16-6-4-2)43(62)57-38(25-28-19-20-29-12-7-8-13-30(29)24-28)45(64)56-37(18-11-23-51-47(49)50)44(63)58-39(26-31-27-52-33-17-10-9-14-32(31)33)46(65)54-34(41(48)60)21-22-40(59)53-35/h7-10,12-14,17,19-20,24,27,34-39,52H,3-6,11,15-16,18,21-23,25-26H2,1-2H3,(H2,48,60)(H,53,59)(H,54,65)(H,55,61)(H,56,64)(H,57,62)(H,58,63)(H4,49,50,51)/t34-,35-,36-,37-,38+,39-/m0/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205746
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)| Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50184354
(CHEMBL383250 | c[Nle-Glu-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(.44,.75,;.44,-.8,;1.53,-1.51,;1.53,-3.03,;2.75,-3.74,;4.46,-3.11,;4.45,-1.56,;3.11,-.81,;5.67,-.8,;6.19,.49,;7.71,.7,;8.47,-.63,;9.24,-1.96,;10.72,-1.55,;9.64,-3.45,;11.17,-3.45,;11.95,-4.79,;11.94,-6.33,;13.41,-6.82,;14.3,-5.57,;15.83,-5.43,;16.48,-4.02,;15.57,-2.76,;14.04,-2.92,;13.42,-4.32,;8.7,-4.66,;9.28,-6.09,;10.82,-6.08,;8.88,-7.57,;9.97,-8.67,;11.46,-8.27,;12.54,-9.35,;14.03,-8.95,;15.13,-10.05,;16.62,-9.65,;14.73,-11.54,;7.54,-8.34,;6.21,-7.56,;6.22,-6.01,;4.87,-8.33,;4.87,-9.87,;6.2,-10.63,;7.53,-9.87,;8.86,-10.63,;8.86,-12.18,;10.2,-12.95,;10.2,-14.49,;8.86,-15.27,;7.52,-14.49,;7.52,-12.95,;6.2,-12.17,;3.53,-7.55,;2.2,-8.32,;2.2,-9.85,;.87,-7.55,;-.28,-8.35,;-1.54,-7.75,;-2.69,-8.54,;-2.69,-10.13,;-3.95,-7.94,;.87,-6.01,;2.4,-5.26,;3.63,-6.01,;8.48,2.04,;7.71,3.38,;10.02,2.04,)| Show InChI InChI=1S/C46H59N11O9/c1-2-3-12-33-41(62)55-35(18-20-39(59)60)43(64)56-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)54-34(14-8-21-50-46(48)49)42(63)57-37(24-29-25-51-31-13-7-6-11-30(29)31)45(66)53-32(40(47)61)17-19-38(58)52-33/h4-7,9-11,13,15-16,22,25,32-37,51H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,61)(H,52,58)(H,53,66)(H,54,65)(H,55,62)(H,56,64)(H,57,63)(H,59,60)(H4,48,49,50)/t32-,33-,34-,35-,36+,37-/m0/s1 | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50261673
((3R,6S,9S,12R,15S)-12-benzyl-9-(3-carbamimidamidop...)Show SMILES N\C([NH-])=[NH+]/CCCC1NC(=O)C(Cc2ccccc2)NC(=O)C(CC2CCCCC2)NC(=O)c2cc(ccc2SCC(NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O Show InChI InChI=1S/C45H55N11O8S/c46-39(57)37-25-65-38-18-17-29(56(63)64)23-31(38)40(58)52-34(20-26-10-3-1-4-11-26)43(61)53-35(21-27-12-5-2-6-13-27)42(60)51-33(16-9-19-49-45(47)48)41(59)54-36(44(62)55-37)22-28-24-50-32-15-8-7-14-30(28)32/h2,5-8,12-15,17-18,23-24,26,33-37,50H,1,3-4,9-11,16,19-22,25H2,(H11,46,47,48,49,51,52,53,54,55,57,58,59,60,61,62) | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 5 receptor expressed in HEK293 cells |
J Med Chem 51: 2701-7 (2008)
Article DOI: 10.1021/jm701181n
BindingDB Entry DOI: 10.7270/Q27P9094 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50261670
((3R,6S,9S,12R,15S)-12-benzyl-9-(3-carbamimidamidop...)Show SMILES NC([NH-])=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O |r,w:3.3| Show InChI InChI=1S/C42H47N13O8S/c43-36(56)34-21-64-35-13-12-26(55(62)63)18-28(35)37(57)51-33(17-25-20-46-22-49-25)41(61)52-31(15-23-7-2-1-3-8-23)39(59)50-30(11-6-14-47-42(44)45)38(58)53-32(40(60)54-34)16-24-19-48-29-10-5-4-9-27(24)29/h1-5,7-10,12-13,18-20,22,30-34,48H,6,11,14-17,21H2,(H12,43,44,45,46,47,49,50,51,52,53,54,56,57,58,59,60,61)/t30-,31+,32-,33-,34?/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 3 receptor expressed in HEK293 cells |
J Med Chem 51: 2701-7 (2008)
Article DOI: 10.1021/jm701181n
BindingDB Entry DOI: 10.7270/Q27P9094 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205744
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)| Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1 | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184354
(CHEMBL383250 | c[Nle-Glu-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(.44,.75,;.44,-.8,;1.53,-1.51,;1.53,-3.03,;2.75,-3.74,;4.46,-3.11,;4.45,-1.56,;3.11,-.81,;5.67,-.8,;6.19,.49,;7.71,.7,;8.47,-.63,;9.24,-1.96,;10.72,-1.55,;9.64,-3.45,;11.17,-3.45,;11.95,-4.79,;11.94,-6.33,;13.41,-6.82,;14.3,-5.57,;15.83,-5.43,;16.48,-4.02,;15.57,-2.76,;14.04,-2.92,;13.42,-4.32,;8.7,-4.66,;9.28,-6.09,;10.82,-6.08,;8.88,-7.57,;9.97,-8.67,;11.46,-8.27,;12.54,-9.35,;14.03,-8.95,;15.13,-10.05,;16.62,-9.65,;14.73,-11.54,;7.54,-8.34,;6.21,-7.56,;6.22,-6.01,;4.87,-8.33,;4.87,-9.87,;6.2,-10.63,;7.53,-9.87,;8.86,-10.63,;8.86,-12.18,;10.2,-12.95,;10.2,-14.49,;8.86,-15.27,;7.52,-14.49,;7.52,-12.95,;6.2,-12.17,;3.53,-7.55,;2.2,-8.32,;2.2,-9.85,;.87,-7.55,;-.28,-8.35,;-1.54,-7.75,;-2.69,-8.54,;-2.69,-10.13,;-3.95,-7.94,;.87,-6.01,;2.4,-5.26,;3.63,-6.01,;8.48,2.04,;7.71,3.38,;10.02,2.04,)| Show InChI InChI=1S/C46H59N11O9/c1-2-3-12-33-41(62)55-35(18-20-39(59)60)43(64)56-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)54-34(14-8-21-50-46(48)49)42(63)57-37(24-29-25-51-31-13-7-6-11-30(29)31)45(66)53-32(40(47)61)17-19-38(58)52-33/h4-7,9-11,13,15-16,22,25,32-37,51H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,61)(H,52,58)(H,53,66)(H,54,65)(H,55,62)(H,56,64)(H,57,63)(H,59,60)(H4,48,49,50)/t32-,33-,34-,35-,36+,37-/m0/s1 | PDB
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50261670
((3R,6S,9S,12R,15S)-12-benzyl-9-(3-carbamimidamidop...)Show SMILES NC([NH-])=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O |r,w:3.3| Show InChI InChI=1S/C42H47N13O8S/c43-36(56)34-21-64-35-13-12-26(55(62)63)18-28(35)37(57)51-33(17-25-20-46-22-49-25)41(61)52-31(15-23-7-2-1-3-8-23)39(59)50-30(11-6-14-47-42(44)45)38(58)53-32(40(60)54-34)16-24-19-48-29-10-5-4-9-27(24)29/h1-5,7-10,12-13,18-20,22,30-34,48H,6,11,14-17,21H2,(H12,43,44,45,46,47,49,50,51,52,53,54,56,57,58,59,60,61)/t30-,31+,32-,33-,34?/m0/s1 | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 4 receptor expressed in HEK293 cells |
J Med Chem 51: 2701-7 (2008)
Article DOI: 10.1021/jm701181n
BindingDB Entry DOI: 10.7270/Q27P9094 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50205743
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-b...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)| Show InChI InChI=1S/C52H69N13O8/c1-2-3-19-36(53)46(68)62-41-28-44(66)57-23-12-11-21-38(45(54)67)60-48(70)40(27-34-29-59-37-20-10-9-18-35(34)37)63-47(69)39(22-13-24-58-52(55)56)61-50(72)43(25-31-14-5-4-6-15-31)65-30-33-17-8-7-16-32(33)26-42(51(65)73)64-49(41)71/h4-10,14-18,20,29,36,38-43,59H,2-3,11-13,19,21-28,30,53H2,1H3,(H2,54,67)(H,57,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H4,55,56,58)/t36-,38-,39-,40-,41-,42?,43+/m0/s1 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2492-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50377916
(CHEMBL552520 | CHEMBL553202)Show SMILES N\C([NH-])=[NH+]/CCCC1NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)c2cc(ccc2SCC(NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O Show InChI InChI=1S/C41H47N11O8S/c42-35(53)32-22-61-34-15-14-25(52(59)60)20-27(34)40(58)51-17-7-13-33(51)39(57)49-30(18-23-8-2-1-3-9-23)37(55)47-29(12-6-16-45-41(43)44)36(54)48-31(38(56)50-32)19-24-21-46-28-11-5-4-10-26(24)28/h1-5,8-11,14-15,20-21,29-33,46H,6-7,12-13,16-19,22H2,(H10,42,43,44,45,47,48,49,50,53,54,55,56,57) | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 5 receptor expressed in HEK293 cells |
J Med Chem 51: 2701-7 (2008)
Article DOI: 10.1021/jm701181n
BindingDB Entry DOI: 10.7270/Q27P9094 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50184355
(CHEMBL204310 | c[Nle-Gln-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(-1.67,-15.57,;-1.66,-17.11,;-.58,-17.83,;-.58,-19.35,;.64,-20.05,;2.35,-19.43,;2.34,-17.88,;1.01,-17.12,;3.56,-17.11,;4.08,-15.82,;5.6,-15.61,;6.37,-16.95,;7.13,-18.28,;8.62,-17.87,;7.53,-19.77,;9.07,-19.77,;9.84,-21.11,;9.83,-22.65,;11.3,-23.13,;12.2,-21.89,;13.73,-21.74,;14.37,-20.34,;13.47,-19.08,;11.94,-19.24,;11.31,-20.63,;6.59,-20.98,;7.18,-22.41,;8.72,-22.4,;6.77,-23.89,;7.87,-24.98,;9.35,-24.58,;10.44,-25.67,;11.93,-25.27,;13.02,-26.36,;14.51,-25.97,;12.62,-27.85,;5.43,-24.66,;4.11,-23.87,;4.12,-22.33,;2.77,-24.64,;2.76,-26.18,;4.1,-26.95,;5.42,-26.19,;6.75,-26.95,;6.76,-28.5,;8.09,-29.27,;8.09,-30.81,;6.75,-31.59,;5.41,-30.81,;5.41,-29.27,;4.09,-28.49,;1.43,-23.87,;.1,-24.63,;.1,-26.17,;-1.23,-23.86,;-2.43,-24.59,;-3.65,-23.92,;-4.85,-24.64,;-4.82,-26.03,;-6.07,-23.96,;-1.23,-22.33,;.3,-21.57,;1.53,-22.32,;6.38,-14.28,;5.61,-12.94,;7.92,-14.28,)| Show InChI InChI=1S/C46H60N12O8/c1-2-3-12-33-41(62)56-35(17-19-38(47)59)43(64)57-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)55-34(14-8-21-51-46(49)50)42(63)58-37(24-29-25-52-31-13-7-6-11-30(29)31)45(66)54-32(40(48)61)18-20-39(60)53-33/h4-7,9-11,13,15-16,22,25,32-37,52H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,59)(H2,48,61)(H,53,60)(H,54,66)(H,55,65)(H,56,62)(H,57,64)(H,58,63)(H4,49,50,51)/t32-,33-,34-,35-,36+,37-/m0/s1 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184363
(CHEMBL263822 | c[Nle-Arg-D-Phe-Arg-Trp-Glu]-NH2)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(N)=O |wU:50.53,10.64,39.41,wD:28.30,14.14,4.3,(.93,3.85,;.93,2.3,;2.02,1.58,;2.02,.06,;3.24,-.65,;4.95,-.02,;4.94,1.52,;3.61,2.29,;6.16,2.3,;6.69,3.59,;8.21,3.8,;8.98,2.46,;9.74,1.13,;11.23,1.54,;10.14,-.37,;11.68,-.37,;12.46,-1.7,;12.45,-3.25,;13.91,-3.73,;14.82,-2.49,;16.35,-2.34,;17,-.93,;16.09,.32,;14.56,.17,;13.92,-1.23,;9.2,-1.58,;9.78,-3.01,;11.33,-3,;9.38,-4.49,;10.47,-5.58,;11.97,-5.19,;13.05,-6.27,;14.55,-5.88,;15.64,-6.97,;17.14,-6.57,;15.25,-8.46,;8.04,-5.26,;6.71,-4.47,;6.72,-2.93,;5.37,-5.24,;5.37,-6.79,;6.7,-7.56,;6.69,-9.11,;8.02,-9.89,;9.36,-9.11,;9.36,-7.56,;8.03,-6.8,;4.02,-4.47,;2.67,-4.89,;2.35,-6.27,;1.63,-3.92,;.28,-4.33,;-.74,-3.38,;-2.07,-3.79,;-3.05,-2.83,;-4.11,-1.89,;-5.45,-2.29,;-3.81,-.52,;1.65,-2.54,;2.9,-2.17,;4.12,-2.92,;8.99,5.14,;8.21,6.48,;10.53,5.13,)| Show InChI InChI=1S/C43H62N14O7/c1-2-3-14-30-37(60)54-31(16-9-20-49-42(45)46)38(61)56-33(22-25-11-5-4-6-12-25)40(63)55-32(17-10-21-50-43(47)48)39(62)57-34(23-26-24-51-28-15-8-7-13-27(26)28)41(64)53-29(36(44)59)18-19-35(58)52-30/h4-8,11-13,15,24,29-34,51H,2-3,9-10,14,16-23H2,1H3,(H2,44,59)(H,52,58)(H,53,64)(H,54,60)(H,55,63)(H,56,61)(H,57,62)(H4,45,46,49)(H4,47,48,50)/t29-,30-,31+,32-,33+,34-/m0/s1 | PDB
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184362
(CHEMBL380638 | c[Nle-Nle-D-Phe-Arg-Trp-Glu]-NH2)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCC)NC1=O)C(N)=O |wU:39.41,10.61,wD:14.14,4.3,28.30,50.53,(-.37,-33.4,;-.37,-34.94,;.72,-35.66,;.71,-37.18,;1.94,-37.89,;3.65,-37.26,;3.64,-35.72,;2.3,-34.96,;4.86,-34.94,;5.38,-33.65,;6.9,-33.44,;7.67,-34.78,;8.43,-36.11,;9.92,-35.7,;8.83,-37.6,;10.37,-37.6,;11.15,-38.94,;11.14,-40.49,;12.6,-40.97,;13.51,-39.73,;15.04,-39.58,;15.68,-38.17,;14.77,-36.92,;13.25,-37.07,;12.62,-38.47,;7.89,-38.82,;8.48,-40.25,;10.02,-40.24,;8.07,-41.73,;9.17,-42.82,;10.66,-42.42,;11.74,-43.51,;13.24,-43.11,;14.33,-44.21,;15.82,-43.81,;13.93,-45.7,;6.73,-42.5,;5.41,-41.71,;5.42,-40.17,;4.06,-42.48,;4.06,-44.02,;5.4,-44.79,;5.39,-46.34,;6.72,-47.11,;8.06,-46.34,;8.06,-44.79,;6.72,-44.03,;2.72,-41.7,;1.39,-42.47,;1.39,-44.01,;.06,-41.7,;-1.27,-42.47,;-2.6,-41.7,;-3.93,-42.47,;-5.26,-41.7,;.06,-40.17,;1.6,-39.41,;2.82,-40.16,;7.68,-32.11,;6.91,-30.77,;9.22,-32.11,)| Show InChI InChI=1S/C43H61N11O7/c1-3-5-16-31-38(57)51-32(17-6-4-2)39(58)53-34(23-26-13-8-7-9-14-26)41(60)52-33(19-12-22-47-43(45)46)40(59)54-35(24-27-25-48-29-18-11-10-15-28(27)29)42(61)50-30(37(44)56)20-21-36(55)49-31/h7-11,13-15,18,25,30-35,48H,3-6,12,16-17,19-24H2,1-2H3,(H2,44,56)(H,49,55)(H,50,61)(H,51,57)(H,52,60)(H,53,58)(H,54,59)(H4,45,46,47)/t30-,31-,32-,33-,34+,35-/m0/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50184365
(CHEMBL204263 | c[Nle-Arg-D-Nal(2')-Arg-Trp-Glu]-NH...)Show SMILES CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(N)=O |wU:54.58,10.69,39.41,wD:28.30,14.14,4.3,(.89,-34.09,;.89,-35.64,;1.98,-36.36,;1.98,-37.88,;3.2,-38.59,;4.91,-37.96,;4.91,-36.42,;3.57,-35.65,;6.12,-35.64,;6.65,-34.35,;8.17,-34.14,;8.94,-35.48,;9.7,-36.82,;11.19,-36.4,;10.1,-38.31,;11.64,-38.31,;12.42,-39.65,;12.41,-41.19,;13.87,-41.67,;14.78,-40.43,;16.32,-40.28,;16.96,-38.88,;16.05,-37.62,;14.52,-37.77,;13.89,-39.17,;9.16,-39.52,;9.74,-40.95,;11.3,-40.95,;9.34,-42.43,;10.44,-43.53,;11.93,-43.13,;13.02,-44.22,;14.51,-43.82,;15.61,-44.91,;17.1,-44.52,;15.21,-46.41,;8,-43.21,;6.67,-42.41,;6.68,-40.87,;5.33,-43.18,;5.33,-44.73,;6.66,-45.51,;7.99,-44.74,;9.32,-45.5,;9.32,-47.05,;10.66,-47.82,;10.66,-49.36,;9.32,-50.14,;7.98,-49.36,;7.98,-47.82,;6.66,-47.05,;3.99,-42.41,;2.63,-42.83,;2.32,-44.21,;1.59,-41.86,;.25,-42.27,;-.78,-41.32,;-2.11,-41.73,;-3.09,-40.77,;-4.15,-39.83,;-5.49,-40.24,;-3.84,-38.46,;1.62,-40.48,;2.86,-40.11,;4.08,-40.86,;8.95,-32.8,;8.17,-31.46,;10.49,-32.81,)| Show InChI InChI=1S/C47H64N14O7/c1-2-3-13-34-41(64)58-35(15-8-21-53-46(49)50)42(65)60-37(24-27-17-18-28-10-4-5-11-29(28)23-27)44(67)59-36(16-9-22-54-47(51)52)43(66)61-38(25-30-26-55-32-14-7-6-12-31(30)32)45(68)57-33(40(48)63)19-20-39(62)56-34/h4-7,10-12,14,17-18,23,26,33-38,55H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,48,63)(H,56,62)(H,57,68)(H,58,64)(H,59,67)(H,60,65)(H,61,66)(H4,49,50,53)(H4,51,52,54)/t33-,34-,35+,36-,37+,38-/m0/s1 | PDB
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells |
J Med Chem 49: 1946-52 (2006)
Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F |
More data for this
Ligand-Target Pair | |
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