Found 58 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1223-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.109 BindingDB Entry DOI: 10.7270/Q2TM7BZM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter& Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity towards human Melanocortin 4 Receptor |
Bioorg Med Chem Lett 15: 2819-23 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.120 BindingDB Entry DOI: 10.7270/Q2F76DBS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 10.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 313: 1281-8 (2005)
Article DOI: 10.1124/jpet.105.083337 BindingDB Entry DOI: 10.7270/Q2154FMM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor |
Bioorg Med Chem Lett 14: 4417-23 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1223-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.109 BindingDB Entry DOI: 10.7270/Q2TM7BZM |
More data for this Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1223-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.109 BindingDB Entry DOI: 10.7270/Q2TM7BZM |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 646 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]NDP-alpha-MSH from MC4R D122A mutant expressed in HEK293 cells |
J Med Chem 47: 6821-30 (2004)
Article DOI: 10.1021/jm049278i BindingDB Entry DOI: 10.7270/Q2610ZSQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 736 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter& Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity towards human Melanocortin 3 Receptor |
Bioorg Med Chem Lett 15: 2819-23 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.120 BindingDB Entry DOI: 10.7270/Q2F76DBS |
More data for this Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-5 receptor |
Bioorg Med Chem Lett 14: 4417-23 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH |
More data for this Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]-NDP-MSH from HEK293 cells expressing human melanocortin-1 receptor |
Bioorg Med Chem Lett 14: 4417-23 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH |
More data for this Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-3 receptor |
Bioorg Med Chem Lett 14: 4417-23 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH |
More data for this Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter& Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity towards human Melanocortin 1 Receptor |
Bioorg Med Chem Lett 15: 2819-23 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.120 BindingDB Entry DOI: 10.7270/Q2F76DBS |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Rattus norvegicus) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Evaluated for binding affinity against rat Melanocortin-4 receptor (rMC4R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Activity against human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 16: 1130-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.095 BindingDB Entry DOI: 10.7270/Q2NG4Q5S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description Displacement of [125]NDP-MSH from human MC4 receptor expressed in HEK293 cells |
J Med Chem 47: 6821-30 (2004)
Article DOI: 10.1021/jm049278i BindingDB Entry DOI: 10.7270/Q2610ZSQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Evaluated for Functional Activity at Melanocortin-4 receptor as effective concentration at 50% maximum CMP accumulation |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Evaluated for binding affinity against human Melanocortin-4 receptor (hMC4R) by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells |
Bioorg Med Chem Lett 15: 3430-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.012 BindingDB Entry DOI: 10.7270/Q2959H2N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors |
Bioorg Med Chem Lett 13: 4341-4 (2003)
BindingDB Entry DOI: 10.7270/Q2F18Z4D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 326 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Evaluated for binding affinity against human melanocortin 5 (hMC5R) receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 326 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in CHO cells |
Bioorg Med Chem Lett 16: 1130-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.095 BindingDB Entry DOI: 10.7270/Q2NG4Q5S |
More data for this Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 326 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells |
Bioorg Med Chem Lett 15: 3430-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.012 BindingDB Entry DOI: 10.7270/Q2959H2N |
More data for this Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 761 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Evaluated for binding affinity against human Melanocortin-3 receptor (hMC3R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 761 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in CHO cells |
Bioorg Med Chem Lett 16: 1130-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.095 BindingDB Entry DOI: 10.7270/Q2NG4Q5S |
More data for this Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 761 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells |
Bioorg Med Chem Lett 15: 3430-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.012 BindingDB Entry DOI: 10.7270/Q2959H2N |
More data for this Ligand-Target Pair | |
Melanocortin receptor 5
(Rattus norvegicus) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | Reactome pathway KEGG
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| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Evaluated for binding affinity against rat Melanocortin-5 receptor (rMC5R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | |
Melanocortin receptor 3
(Rattus norvegicus) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 1.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Evaluated for binding affinity against rat Melanocortin-3 receptor (rMC3R) by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Activity against human MC1BR by cAMP accumulation |
Bioorg Med Chem Lett 16: 1130-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.095 BindingDB Entry DOI: 10.7270/Q2NG4Q5S |
More data for this Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells |
Bioorg Med Chem Lett 15: 3430-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.012 BindingDB Entry DOI: 10.7270/Q2959H2N |
More data for this Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Evaluated for binding affinity against human melanocortin 1 (hMC1R) receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1223-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.109 BindingDB Entry DOI: 10.7270/Q2TM7BZM |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 7.60 | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 4 receptor (mMC4R) |
Bioorg Med Chem Lett 13: 3793-6 (2003)
BindingDB Entry DOI: 10.7270/Q2P26ZNW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 1 receptor (hMC1R) |
Bioorg Med Chem Lett 13: 3793-6 (2003)
BindingDB Entry DOI: 10.7270/Q2P26ZNW |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R) |
Bioorg Med Chem Lett 13: 3793-6 (2003)
BindingDB Entry DOI: 10.7270/Q2P26ZNW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 5 receptor (hMC5R) |
Bioorg Med Chem Lett 13: 3793-6 (2003)
BindingDB Entry DOI: 10.7270/Q2P26ZNW |
More data for this Ligand-Target Pair | |
Adrenocorticotropic hormone receptor
(Mus musculus) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R) |
Bioorg Med Chem Lett 13: 3793-6 (2003)
BindingDB Entry DOI: 10.7270/Q2P26ZNW |
More data for this Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 737 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Activity against human MC5R by cAMP accumulation |
Bioorg Med Chem Lett 16: 1130-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.095 BindingDB Entry DOI: 10.7270/Q2NG4Q5S |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human MC4 D122A mutant expressed in HEK293 cells assessed as stimulation of cAMP production |
J Med Chem 47: 6821-30 (2004)
Article DOI: 10.1021/jm049278i BindingDB Entry DOI: 10.7270/Q2610ZSQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor |
Bioorg Med Chem Lett 14: 4417-23 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R receptor was determined by measuring cAMP accumulation using the RPA559 SP... |
Bioorg Med Chem Lett 13: 4341-4 (2003)
BindingDB Entry DOI: 10.7270/Q2F18Z4D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Rattus norvegicus) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Functional activity as concentration of the compound at 50% maximum cAMP accumulation in rat Melanocortin-4 receptor (rMC4R) |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Agonist activity at human MC3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1223-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.109 BindingDB Entry DOI: 10.7270/Q2TM7BZM |
More data for this Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Agonist activity at human MC4 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 1223-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.109 BindingDB Entry DOI: 10.7270/Q2TM7BZM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 18: 1223-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.109 BindingDB Entry DOI: 10.7270/Q2TM7BZM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Activity against human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 16: 1130-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.095 BindingDB Entry DOI: 10.7270/Q2NG4Q5S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.49E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Activity against human MC3R by cAMP accumulation |
Bioorg Med Chem Lett 16: 1130-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.095 BindingDB Entry DOI: 10.7270/Q2NG4Q5S |
More data for this Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.85E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Activity against human MC1BR by cAMP accumulation |
Bioorg Med Chem Lett 16: 1130-3 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.095 BindingDB Entry DOI: 10.7270/Q2NG4Q5S |
More data for this Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 737 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Functional activity as concentration at 50% maximum cAMP accumulation in human melanocortin 1 (MC5R) receptor |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | PDB
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Similars
| PubMed
| n/a | n/a | n/a | n/a | 736 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Evaluated for Functional Activity at MC5R as effective concentration at 50% maximum CMP accumulation |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | |
Melanocortin receptor 5
(Rattus norvegicus) | BDBM50119368
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Functional activity as concentration of the compound at 50% maximum cAMP accumulation in rat Melanocortin-5 receptor (rMC5R) |
J Med Chem 45: 4589-93 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5MH9 |
More data for this Ligand-Target Pair | |