Found 101 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179135
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CC1(C)CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)S1(=O)=O Show InChI InChI=1S/C36H49ClN4O4S/c1-35(2)16-21-41(46(35,44)45)25-36(29-10-4-3-5-11-29)17-19-40(20-18-36)34(43)32(22-26-12-14-30(37)15-13-26)39-33(42)31-23-27-8-6-7-9-28(27)24-38-31/h6-9,12-15,29,31-32,38H,3-5,10-11,16-25H2,1-2H3,(H,39,42)/t31-,32-/m1/s1 | PDB
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| n/a | n/a | 0.620 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179134
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | 0.800 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179142
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | 0.910 | 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 | |
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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Article
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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)) | BDBM50179141
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30-,31-/m1/s1 | PDB
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| n/a | n/a | 1.30 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179143
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC(C)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)S(C)(=O)=O Show InChI InChI=1S/C35H49ClN4O4S/c1-25(2)40(45(3,43)44)24-35(29-11-5-4-6-12-29)17-19-39(20-18-35)34(42)32(21-26-13-15-30(36)16-14-26)38-33(41)31-22-27-9-7-8-10-28(27)23-37-31/h7-10,13-16,25,29,31-32,37H,4-6,11-12,17-24H2,1-3H3,(H,38,41)/t31-,32-/m1/s1 | PDB
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| n/a | n/a | 2.10 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179137
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 4 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179136
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O Show InChI InChI=1S/C35H46ClN5O3/c1-39-19-20-41(34(39)44)24-35(28-9-3-2-4-10-28)15-17-40(18-16-35)33(43)31(21-25-11-13-29(36)14-12-25)38-32(42)30-22-26-7-5-6-8-27(26)23-37-30/h5-8,11-14,28,30-31,37H,2-4,9-10,15-24H2,1H3,(H,38,42)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | 4.30 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179140
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30+,31+/m0/s1 | PDB
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| n/a | n/a | 4.5 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179139
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C36H45ClN4O4/c37-29-12-10-25(11-13-29)20-31(39-32(42)30-21-26-6-4-5-7-27(26)22-38-30)33(43)40-18-16-35(17-19-40,28-8-2-1-3-9-28)23-41-34(44)45-24-36(41)14-15-36/h4-7,10-13,28,30-31,38H,1-3,8-9,14-24H2,(H,39,42)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | 4.60 | 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 MC4R 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 4
(Homo sapiens (Human)) | BDBM50179133
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCNC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H44ClN5O3/c35-28-12-10-24(11-13-28)20-30(38-31(41)29-21-25-6-4-5-7-26(25)22-37-29)32(42)39-17-14-34(15-18-39,27-8-2-1-3-9-27)23-40-19-16-36-33(40)43/h4-7,10-13,27,29-30,37H,1-3,8-9,14-23H2,(H,36,43)(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | 4.80 | 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 MC4R 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 4
(Homo sapiens (Human)) | BDBM50179132
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CCC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C37H47ClN4O4/c38-30-13-11-26(12-14-30)21-32(40-33(43)31-22-27-7-4-5-8-28(27)23-39-31)34(44)41-19-17-36(18-20-41,29-9-2-1-3-10-29)24-42-35(45)46-25-37(42)15-6-16-37/h4-5,7-8,11-14,29,31-32,39H,1-3,6,9-10,15-25H2,(H,40,43)/t31-,32-/m1/s1 | PDB
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| n/a | n/a | 7.90 | 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 MC4R 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 4
(Homo sapiens (Human)) | BDBM50179138
(CHEMBL380727 | ethyl (1-((R)-3-(4-chlorophenyl)-2-...)Show SMILES CCOC(=O)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)C(C)C Show InChI InChI=1S/C37H51ClN4O4/c1-4-46-36(45)42(26(2)3)25-37(30-12-6-5-7-13-30)18-20-41(21-19-37)35(44)33(22-27-14-16-31(38)17-15-27)40-34(43)32-23-28-10-8-9-11-29(28)24-39-32/h8-11,14-17,26,30,32-33,39H,4-7,12-13,18-25H2,1-3H3,(H,40,43)/t32-,33-/m1/s1 | PDB
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| n/a | n/a | 8.10 | 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 MC4R 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)) | BDBM50179134
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | 80 | 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)) | BDBM50179141
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30-,31-/m1/s1 | PDB
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| n/a | n/a | 110 | 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)) | BDBM50179133
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCNC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H44ClN5O3/c35-28-12-10-24(11-13-28)20-30(38-31(41)29-21-25-6-4-5-7-26(25)22-37-29)32(42)39-17-14-34(15-18-39,27-8-2-1-3-9-27)23-40-19-16-36-33(40)43/h4-7,10-13,27,29-30,37H,1-3,8-9,14-23H2,(H,36,43)(H,38,41)/t29-,30-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 150 | 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)) | BDBM50179136
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O Show InChI InChI=1S/C35H46ClN5O3/c1-39-19-20-41(34(39)44)24-35(28-9-3-2-4-10-28)15-17-40(18-16-35)33(43)31(21-25-11-13-29(36)14-12-25)38-32(42)30-22-26-7-5-6-8-27(26)23-37-30/h5-8,11-14,28,30-31,37H,2-4,9-10,15-24H2,1H3,(H,38,42)/t30-,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 160 | 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)) | BDBM50179139
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C36H45ClN4O4/c37-29-12-10-25(11-13-29)20-31(39-32(42)30-21-26-6-4-5-7-27(26)22-38-30)33(43)40-18-16-35(17-19-40,28-8-2-1-3-9-28)23-41-34(44)45-24-36(41)14-15-36/h4-7,10-13,28,30-31,38H,1-3,8-9,14-24H2,(H,39,42)/t30-,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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PC sid
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| Article
PubMed
| n/a | n/a | 170 | 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)) | BDBM50179142
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 170 | 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)) | BDBM50179137
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 180 | 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)) | BDBM50179135
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CC1(C)CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)S1(=O)=O Show InChI InChI=1S/C36H49ClN4O4S/c1-35(2)16-21-41(46(35,44)45)25-36(29-10-4-3-5-11-29)17-19-40(20-18-36)34(43)32(22-26-12-14-30(37)15-13-26)39-33(42)31-23-27-8-6-7-9-28(27)24-38-31/h6-9,12-15,29,31-32,38H,3-5,10-11,16-25H2,1-2H3,(H,39,42)/t31-,32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Article
PubMed
| n/a | n/a | 190 | 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)) | BDBM50179143
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC(C)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)S(C)(=O)=O Show InChI InChI=1S/C35H49ClN4O4S/c1-25(2)40(45(3,43)44)24-35(29-11-5-4-6-12-29)17-19-39(20-18-35)34(42)32(21-26-13-15-30(36)16-14-26)38-33(41)31-22-27-9-7-8-10-28(27)23-37-31/h7-10,13-16,25,29,31-32,37H,4-6,11-12,17-24H2,1-3H3,(H,38,41)/t31-,32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Article
PubMed
| n/a | n/a | 200 | 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 3
(Homo sapiens (Human)) | BDBM50179141
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30-,31-/m1/s1 | PDB
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| CHEMBL
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Similars
| Article
PubMed
| n/a | n/a | 210 | 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 5
(Homo sapiens (Human)) | BDBM50179132
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CCC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C37H47ClN4O4/c38-30-13-11-26(12-14-30)21-32(40-33(43)31-22-27-7-4-5-8-28(27)23-39-31)34(44)41-19-17-36(18-20-41,29-9-2-1-3-10-29)24-42-35(45)46-25-37(42)15-6-16-37/h4-5,7-8,11-14,29,31-32,39H,1-3,6,9-10,15-25H2,(H,40,43)/t31-,32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | 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)) | BDBM50179140
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30+,31+/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 220 | 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 3
(Homo sapiens (Human)) | BDBM50179134
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1 | PDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 230 | 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)) | BDBM50179142
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 310 | 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 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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| Purchase
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PC cid
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| Article
PubMed
| 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 3
(Homo sapiens (Human)) | BDBM50179143
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC(C)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)S(C)(=O)=O Show InChI InChI=1S/C35H49ClN4O4S/c1-25(2)40(45(3,43)44)24-35(29-11-5-4-6-12-29)17-19-39(20-18-35)34(42)32(21-26-13-15-30(36)16-14-26)38-33(41)31-22-27-9-7-8-10-28(27)23-37-31/h7-10,13-16,25,29,31-32,37H,4-6,11-12,17-24H2,1-3H3,(H,38,41)/t31-,32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PubMed
| n/a | n/a | 380 | 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)) | BDBM50179132
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CCC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C37H47ClN4O4/c38-30-13-11-26(12-14-30)21-32(40-33(43)31-22-27-7-4-5-8-28(27)23-39-31)34(44)41-19-17-36(18-20-41,29-9-2-1-3-10-29)24-42-35(45)46-25-37(42)15-6-16-37/h4-5,7-8,11-14,29,31-32,39H,1-3,6,9-10,15-25H2,(H,40,43)/t31-,32-/m1/s1 | PDB
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antibodypedia
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Similars
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PubMed
| n/a | n/a | 400 | 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)) | BDBM50179137
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | 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)) | BDBM50179139
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C36H45ClN4O4/c37-29-12-10-25(11-13-29)20-31(39-32(42)30-21-26-6-4-5-7-27(26)22-38-30)33(43)40-18-16-35(17-19-40,28-8-2-1-3-9-28)23-41-34(44)45-24-36(41)14-15-36/h4-7,10-13,28,30-31,38H,1-3,8-9,14-24H2,(H,39,42)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | 490 | 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)) | BDBM50179133
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCNC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H44ClN5O3/c35-28-12-10-24(11-13-28)20-30(38-31(41)29-21-25-6-4-5-7-26(25)22-37-29)32(42)39-17-14-34(15-18-39,27-8-2-1-3-9-27)23-40-19-16-36-33(40)43/h4-7,10-13,27,29-30,37H,1-3,8-9,14-23H2,(H,36,43)(H,38,41)/t29-,30-/m1/s1 | PDB
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antibodypedia
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PubMed
| n/a | n/a | 520 | 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)) | BDBM50179138
(CHEMBL380727 | ethyl (1-((R)-3-(4-chlorophenyl)-2-...)Show SMILES CCOC(=O)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)C(C)C Show InChI InChI=1S/C37H51ClN4O4/c1-4-46-36(45)42(26(2)3)25-37(30-12-6-5-7-13-30)18-20-41(21-19-37)35(44)33(22-27-14-16-31(38)17-15-27)40-34(43)32-23-28-10-8-9-11-29(28)24-39-32/h8-11,14-17,26,30,32-33,39H,4-7,12-13,18-25H2,1-3H3,(H,40,43)/t32-,33-/m1/s1 | PDB
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PubMed
| n/a | n/a | 630 | 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 5
(Homo sapiens (Human)) | BDBM50179138
(CHEMBL380727 | ethyl (1-((R)-3-(4-chlorophenyl)-2-...)Show SMILES CCOC(=O)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)C(C)C Show InChI InChI=1S/C37H51ClN4O4/c1-4-46-36(45)42(26(2)3)25-37(30-12-6-5-7-13-30)18-20-41(21-19-37)35(44)33(22-27-14-16-31(38)17-15-27)40-34(43)32-23-28-10-8-9-11-29(28)24-39-32/h8-11,14-17,26,30,32-33,39H,4-7,12-13,18-25H2,1-3H3,(H,40,43)/t32-,33-/m1/s1 | PDB
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| n/a | n/a | 630 | 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 3
(Homo sapiens (Human)) | BDBM50179136
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O Show InChI InChI=1S/C35H46ClN5O3/c1-39-19-20-41(34(39)44)24-35(28-9-3-2-4-10-28)15-17-40(18-16-35)33(43)31(21-25-11-13-29(36)14-12-25)38-32(42)30-22-26-7-5-6-8-27(26)23-37-30/h5-8,11-14,28,30-31,37H,2-4,9-10,15-24H2,1H3,(H,38,42)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | 660 | 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)) | BDBM50179135
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CC1(C)CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)S1(=O)=O Show InChI InChI=1S/C36H49ClN4O4S/c1-35(2)16-21-41(46(35,44)45)25-36(29-10-4-3-5-11-29)17-19-40(20-18-36)34(43)32(22-26-12-14-30(37)15-13-26)39-33(42)31-23-27-8-6-7-9-28(27)24-38-31/h6-9,12-15,29,31-32,38H,3-5,10-11,16-25H2,1-2H3,(H,39,42)/t31-,32-/m1/s1 | PDB
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PubMed
| n/a | n/a | 760 | 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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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
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)) | BDBM50179140
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30+,31+/m0/s1 | PDB
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| n/a | n/a | 840 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179138
(CHEMBL380727 | ethyl (1-((R)-3-(4-chlorophenyl)-2-...)Show SMILES CCOC(=O)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)C(C)C Show InChI InChI=1S/C37H51ClN4O4/c1-4-46-36(45)42(26(2)3)25-37(30-12-6-5-7-13-30)18-20-41(21-19-37)35(44)33(22-27-14-16-31(38)17-15-27)40-34(43)32-23-28-10-8-9-11-29(28)24-39-32/h8-11,14-17,26,30,32-33,39H,4-7,12-13,18-25H2,1-3H3,(H,40,43)/t32-,33-/m1/s1 | PDB
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PubMed
| n/a | n/a | 1.10E+3 | 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 MC1BR 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179133
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCNC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H44ClN5O3/c35-28-12-10-24(11-13-28)20-30(38-31(41)29-21-25-6-4-5-7-26(25)22-37-29)32(42)39-17-14-34(15-18-39,27-8-2-1-3-9-27)23-40-19-16-36-33(40)43/h4-7,10-13,27,29-30,37H,1-3,8-9,14-23H2,(H,36,43)(H,38,41)/t29-,30-/m1/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 1.10E+3 | 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 MC1BR 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179134
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | 1.10E+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)) | BDBM50179135
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CC1(C)CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)S1(=O)=O Show InChI InChI=1S/C36H49ClN4O4S/c1-35(2)16-21-41(46(35,44)45)25-36(29-10-4-3-5-11-29)17-19-40(20-18-36)34(43)32(22-26-12-14-30(37)15-13-26)39-33(42)31-23-27-8-6-7-9-28(27)24-38-31/h6-9,12-15,29,31-32,38H,3-5,10-11,16-25H2,1-2H3,(H,39,42)/t31-,32-/m1/s1 | PDB
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Similars
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PubMed
| n/a | n/a | 1.20E+3 | 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 MC1BR 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179143
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC(C)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)S(C)(=O)=O Show InChI InChI=1S/C35H49ClN4O4S/c1-25(2)40(45(3,43)44)24-35(29-11-5-4-6-12-29)17-19-39(20-18-35)34(42)32(21-26-13-15-30(36)16-14-26)38-33(41)31-22-27-9-7-8-10-28(27)23-37-31/h7-10,13-16,25,29,31-32,37H,4-6,11-12,17-24H2,1-3H3,(H,38,41)/t31-,32-/m1/s1 | PDB
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Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | 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 MC1BR 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179142
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1 | PDB
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PC sid
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Similars
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PubMed
| n/a | n/a | 1.30E+3 | 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 MC1BR 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179141
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30-,31-/m1/s1 | PDB
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Similars
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PubMed
| n/a | n/a | 1.70E+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)) | BDBM50179136
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O Show InChI InChI=1S/C35H46ClN5O3/c1-39-19-20-41(34(39)44)24-35(28-9-3-2-4-10-28)15-17-40(18-16-35)33(43)31(21-25-11-13-29(36)14-12-25)38-32(42)30-22-26-7-5-6-8-27(26)23-37-30/h5-8,11-14,28,30-31,37H,2-4,9-10,15-24H2,1H3,(H,38,42)/t30-,31-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.80E+3 | 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 MC1BR 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179137
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1 | PDB
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PubMed
| n/a | n/a | 2.00E+3 | 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 MC1BR 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 | |
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
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)) | BDBM50179132
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CCC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C37H47ClN4O4/c38-30-13-11-26(12-14-30)21-32(40-33(43)31-22-27-7-4-5-8-28(27)23-39-31)34(44)41-19-17-36(18-20-41,29-9-2-1-3-10-29)24-42-35(45)46-25-37(42)15-6-16-37/h4-5,7-8,11-14,29,31-32,39H,1-3,6,9-10,15-25H2,(H,40,43)/t31-,32-/m1/s1 | PDB
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PubMed
| n/a | n/a | 2.10E+3 | 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 MC1BR 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179140
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30+,31+/m0/s1 | PDB
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PubMed
| n/a | n/a | 2.40E+3 | 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 MC1BR 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179139
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C36H45ClN4O4/c37-29-12-10-25(11-13-29)20-31(39-32(42)30-21-26-6-4-5-7-27(26)22-38-30)33(43)40-18-16-35(17-19-40,28-8-2-1-3-9-28)23-41-34(44)45-24-36(41)14-15-36/h4-7,10-13,28,30-31,38H,1-3,8-9,14-24H2,(H,39,42)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | 2.40E+3 | 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 MC1BR 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 4
(Homo sapiens (Human)) | BDBM50179136
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O Show InChI InChI=1S/C35H46ClN5O3/c1-39-19-20-41(34(39)44)24-35(28-9-3-2-4-10-28)15-17-40(18-16-35)33(43)31(21-25-11-13-29(36)14-12-25)38-32(42)30-22-26-7-5-6-8-27(26)23-37-30/h5-8,11-14,28,30-31,37H,2-4,9-10,15-24H2,1H3,(H,38,42)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 16 | 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 | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50179140
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30+,31+/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 400 | 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 3
(Homo sapiens (Human)) | BDBM50179143
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC(C)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)S(C)(=O)=O Show InChI InChI=1S/C35H49ClN4O4S/c1-25(2)40(45(3,43)44)24-35(29-11-5-4-6-12-29)17-19-39(20-18-35)34(42)32(21-26-13-15-30(36)16-14-26)38-33(41)31-22-27-9-7-8-10-28(27)23-37-31/h7-10,13-16,25,29,31-32,37H,4-6,11-12,17-24H2,1-3H3,(H,38,41)/t31-,32-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 590 | 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 | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50179143
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC(C)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)S(C)(=O)=O Show InChI InChI=1S/C35H49ClN4O4S/c1-25(2)40(45(3,43)44)24-35(29-11-5-4-6-12-29)17-19-39(20-18-35)34(42)32(21-26-13-15-30(36)16-14-26)38-33(41)31-22-27-9-7-8-10-28(27)23-37-31/h7-10,13-16,25,29,31-32,37H,4-6,11-12,17-24H2,1-3H3,(H,38,41)/t31-,32-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 800 | 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 3
(Homo sapiens (Human)) | BDBM50179135
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CC1(C)CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)S1(=O)=O Show InChI InChI=1S/C36H49ClN4O4S/c1-35(2)16-21-41(46(35,44)45)25-36(29-10-4-3-5-11-29)17-19-40(20-18-36)34(43)32(22-26-12-14-30(37)15-13-26)39-33(42)31-23-27-8-6-7-9-28(27)24-38-31/h6-9,12-15,29,31-32,38H,3-5,10-11,16-25H2,1-2H3,(H,39,42)/t31-,32-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 450 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179137
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 5.80 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179137
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 1.30E+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)) | BDBM50179134
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 340 | 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 3
(Homo sapiens (Human)) | BDBM50179142
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 540 | 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)) | BDBM50179142
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 680 | 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)) | BDBM50179132
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CCC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C37H47ClN4O4/c38-30-13-11-26(12-14-30)21-32(40-33(43)31-22-27-7-4-5-8-28(27)23-39-31)34(44)41-19-17-36(18-20-41,29-9-2-1-3-10-29)24-42-35(45)46-25-37(42)15-6-16-37/h4-5,7-8,11-14,29,31-32,39H,1-3,6,9-10,15-25H2,(H,40,43)/t31-,32-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+3 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179141
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 1.30E+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)) | BDBM50179139
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C36H45ClN4O4/c37-29-12-10-25(11-13-29)20-31(39-32(42)30-21-26-6-4-5-7-27(26)22-38-30)33(43)40-18-16-35(17-19-40,28-8-2-1-3-9-28)23-41-34(44)45-24-36(41)14-15-36/h4-7,10-13,28,30-31,38H,1-3,8-9,14-24H2,(H,39,42)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 620 | 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 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 | 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 | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50179136
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O Show InChI InChI=1S/C35H46ClN5O3/c1-39-19-20-41(34(39)44)24-35(28-9-3-2-4-10-28)15-17-40(18-16-35)33(43)31(21-25-11-13-29(36)14-12-25)38-32(42)30-22-26-7-5-6-8-27(26)23-37-30/h5-8,11-14,28,30-31,37H,2-4,9-10,15-24H2,1H3,(H,38,42)/t30-,31-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 460 | 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)) | BDBM50179141
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 1.30 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179142
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 5.30 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179134
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 2.40 | 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 | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50179135
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CC1(C)CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)S1(=O)=O Show InChI InChI=1S/C36H49ClN4O4S/c1-35(2)16-21-41(46(35,44)45)25-36(29-10-4-3-5-11-29)17-19-40(20-18-36)34(43)32(22-26-12-14-30(37)15-13-26)39-33(42)31-23-27-8-6-7-9-28(27)24-38-31/h6-9,12-15,29,31-32,38H,3-5,10-11,16-25H2,1-2H3,(H,39,42)/t31-,32-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 850 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179138
(CHEMBL380727 | ethyl (1-((R)-3-(4-chlorophenyl)-2-...)Show SMILES CCOC(=O)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)C(C)C Show InChI InChI=1S/C37H51ClN4O4/c1-4-46-36(45)42(26(2)3)25-37(30-12-6-5-7-13-30)18-20-41(21-19-37)35(44)33(22-27-14-16-31(38)17-15-27)40-34(43)32-23-28-10-8-9-11-29(28)24-39-32/h8-11,14-17,26,30,32-33,39H,4-7,12-13,18-25H2,1-3H3,(H,40,43)/t32-,33-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 970 | 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)) | BDBM50179137
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 280 | 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)) | BDBM50179138
(CHEMBL380727 | ethyl (1-((R)-3-(4-chlorophenyl)-2-...)Show SMILES CCOC(=O)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)C(C)C Show InChI InChI=1S/C37H51ClN4O4/c1-4-46-36(45)42(26(2)3)25-37(30-12-6-5-7-13-30)18-20-41(21-19-37)35(44)33(22-27-14-16-31(38)17-15-27)40-34(43)32-23-28-10-8-9-11-29(28)24-39-32/h8-11,14-17,26,30,32-33,39H,4-7,12-13,18-25H2,1-3H3,(H,40,43)/t32-,33-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 14 | 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 | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50179142
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H45ClN4O4S/c35-29-13-11-25(12-14-29)21-31(37-32(40)30-22-26-7-4-5-8-27(26)23-36-30)33(41)38-18-15-34(16-19-38,28-9-2-1-3-10-28)24-39-17-6-20-44(39,42)43/h4-5,7-8,11-14,28,30-31,36H,1-3,6,9-10,15-24H2,(H,37,40)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 660 | 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)) | BDBM50179132
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CCC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C37H47ClN4O4/c38-30-13-11-26(12-14-30)21-32(40-33(43)31-22-27-7-4-5-8-28(27)23-39-31)34(44)41-19-17-36(18-20-41,29-9-2-1-3-10-29)24-42-35(45)46-25-37(42)15-6-16-37/h4-5,7-8,11-14,29,31-32,39H,1-3,6,9-10,15-25H2,(H,40,43)/t31-,32-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 15 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179140
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30+,31+/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 2.10E+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 3
(Homo sapiens (Human)) | BDBM50179133
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCNC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H44ClN5O3/c35-28-12-10-24(11-13-28)20-30(38-31(41)29-21-25-6-4-5-7-26(25)22-37-29)32(42)39-17-14-34(15-18-39,27-8-2-1-3-9-27)23-40-19-16-36-33(40)43/h4-7,10-13,27,29-30,37H,1-3,8-9,14-23H2,(H,36,43)(H,38,41)/t29-,30-/m1/s1 | PDB
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Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 880 | 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 | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179138
(CHEMBL380727 | ethyl (1-((R)-3-(4-chlorophenyl)-2-...)Show SMILES CCOC(=O)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)C(C)C Show InChI InChI=1S/C37H51ClN4O4/c1-4-46-36(45)42(26(2)3)25-37(30-12-6-5-7-13-30)18-20-41(21-19-37)35(44)33(22-27-14-16-31(38)17-15-27)40-34(43)32-23-28-10-8-9-11-29(28)24-39-32/h8-11,14-17,26,30,32-33,39H,4-7,12-13,18-25H2,1-3H3,(H,40,43)/t32-,33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 550 | 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 | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179139
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C36H45ClN4O4/c37-29-12-10-25(11-13-29)20-31(39-32(42)30-21-26-6-4-5-7-27(26)22-38-30)33(43)40-18-16-35(17-19-40,28-8-2-1-3-9-28)23-41-34(44)45-24-36(41)14-15-36/h4-7,10-13,28,30-31,38H,1-3,8-9,14-24H2,(H,39,42)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 990 | 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 | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179140
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30+,31+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 640 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179143
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC(C)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)S(C)(=O)=O Show InChI InChI=1S/C35H49ClN4O4S/c1-25(2)40(45(3,43)44)24-35(29-11-5-4-6-12-29)17-19-39(20-18-35)34(42)32(21-26-13-15-30(36)16-14-26)38-33(41)31-22-27-9-7-8-10-28(27)23-37-31/h7-10,13-16,25,29,31-32,37H,4-6,11-12,17-24H2,1-3H3,(H,38,41)/t31-,32-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 5.60 | 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 | |
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 4
(Homo sapiens (Human)) | BDBM50179135
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CC1(C)CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)S1(=O)=O Show InChI InChI=1S/C36H49ClN4O4S/c1-35(2)16-21-41(46(35,44)45)25-36(29-10-4-3-5-11-29)17-19-40(20-18-36)34(43)32(22-26-12-14-30(37)15-13-26)39-33(42)31-23-27-8-6-7-9-28(27)24-38-31/h6-9,12-15,29,31-32,38H,3-5,10-11,16-25H2,1-2H3,(H,39,42)/t31-,32-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 5.80 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179133
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCNC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H44ClN5O3/c35-28-12-10-24(11-13-28)20-30(38-31(41)29-21-25-6-4-5-7-26(25)22-37-29)32(42)39-17-14-34(15-18-39,27-8-2-1-3-9-27)23-40-19-16-36-33(40)43/h4-7,10-13,27,29-30,37H,1-3,8-9,14-23H2,(H,36,43)(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 980 | 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)) | BDBM50179135
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CC1(C)CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)S1(=O)=O Show InChI InChI=1S/C36H49ClN4O4S/c1-35(2)16-21-41(46(35,44)45)25-36(29-10-4-3-5-11-29)17-19-40(20-18-36)34(43)32(22-26-12-14-30(37)15-13-26)39-33(42)31-23-27-8-6-7-9-28(27)24-38-31/h6-9,12-15,29,31-32,38H,3-5,10-11,16-25H2,1-2H3,(H,39,42)/t31-,32-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 460 | 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)) | BDBM50179134
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 550 | 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 3
(Homo sapiens (Human)) | BDBM50179136
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O Show InChI InChI=1S/C35H46ClN5O3/c1-39-19-20-41(34(39)44)24-35(28-9-3-2-4-10-28)15-17-40(18-16-35)33(43)31(21-25-11-13-29(36)14-12-25)38-32(42)30-22-26-7-5-6-8-27(26)23-37-30/h5-8,11-14,28,30-31,37H,2-4,9-10,15-24H2,1H3,(H,38,42)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.20E+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 4
(Homo sapiens (Human)) | BDBM50179133
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCNC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H44ClN5O3/c35-28-12-10-24(11-13-28)20-30(38-31(41)29-21-25-6-4-5-7-26(25)22-37-29)32(42)39-17-14-34(15-18-39,27-8-2-1-3-9-27)23-40-19-16-36-33(40)43/h4-7,10-13,27,29-30,37H,1-3,8-9,14-23H2,(H,36,43)(H,38,41)/t29-,30-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 16 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179136
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O Show InChI InChI=1S/C35H46ClN5O3/c1-39-19-20-41(34(39)44)24-35(28-9-3-2-4-10-28)15-17-40(18-16-35)33(43)31(21-25-11-13-29(36)14-12-25)38-32(42)30-22-26-7-5-6-8-27(26)23-37-30/h5-8,11-14,28,30-31,37H,2-4,9-10,15-24H2,1H3,(H,38,42)/t30-,31-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 950 | 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 3
(Homo sapiens (Human)) | BDBM50179141
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30-,31-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 370 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179140
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30+,31+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 8.60 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179139
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C36H45ClN4O4/c37-29-12-10-25(11-13-29)20-31(39-32(42)30-21-26-6-4-5-7-27(26)22-38-30)33(43)40-18-16-35(17-19-40,28-8-2-1-3-9-28)23-41-34(44)45-24-36(41)14-15-36/h4-7,10-13,28,30-31,38H,1-3,8-9,14-24H2,(H,39,42)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 2.60E+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)) | BDBM50179141
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES C[C@@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 Show InChI InChI=1S/C35H45ClN4O4/c1-24-22-44-34(43)40(24)23-35(28-9-3-2-4-10-28)15-17-39(18-16-35)33(42)31(19-25-11-13-29(36)14-12-25)38-32(41)30-20-26-7-5-6-8-27(26)21-37-30/h5-8,11-14,24,28,30-31,37H,2-4,9-10,15-23H2,1H3,(H,38,41)/t24-,30-,31-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 400 | 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)) | BDBM50179139
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C36H45ClN4O4/c37-29-12-10-25(11-13-29)20-31(39-32(42)30-21-26-6-4-5-7-27(26)22-38-30)33(43)40-18-16-35(17-19-40,28-8-2-1-3-9-28)23-41-34(44)45-24-36(41)14-15-36/h4-7,10-13,28,30-31,38H,1-3,8-9,14-24H2,(H,39,42)/t30-,31-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 6.10 | 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 | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50179138
(CHEMBL380727 | ethyl (1-((R)-3-(4-chlorophenyl)-2-...)Show SMILES CCOC(=O)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)C(C)C Show InChI InChI=1S/C37H51ClN4O4/c1-4-46-36(45)42(26(2)3)25-37(30-12-6-5-7-13-30)18-20-41(21-19-37)35(44)33(22-27-14-16-31(38)17-15-27)40-34(43)32-23-28-10-8-9-11-29(28)24-39-32/h8-11,14-17,26,30,32-33,39H,4-7,12-13,18-25H2,1-3H3,(H,40,43)/t32-,33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 3.60E+3 | 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 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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PC cid
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| Article
PubMed
| 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 5
(Homo sapiens (Human)) | BDBM50179133
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCNC3=O)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C34H44ClN5O3/c35-28-12-10-24(11-13-28)20-30(38-31(41)29-21-25-6-4-5-7-26(25)22-37-29)32(42)39-17-14-34(15-18-39,27-8-2-1-3-9-27)23-40-19-16-36-33(40)43/h4-7,10-13,27,29-30,37H,1-3,8-9,14-23H2,(H,36,43)(H,38,41)/t29-,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 480 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179143
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)Show SMILES CC(C)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)S(C)(=O)=O Show InChI InChI=1S/C35H49ClN4O4S/c1-25(2)40(45(3,43)44)24-35(29-11-5-4-6-12-29)17-19-39(20-18-35)34(42)32(21-26-13-15-30(36)16-14-26)38-33(41)31-22-27-9-7-8-10-28(27)23-37-31/h7-10,13-16,25,29,31-32,37H,4-6,11-12,17-24H2,1-3H3,(H,38,41)/t31-,32-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 1.50E+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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179132
((R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CCC3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C37H47ClN4O4/c38-30-13-11-26(12-14-30)21-32(40-33(43)31-22-27-7-4-5-8-28(27)23-39-31)34(44)41-19-17-36(18-20-41,29-9-2-1-3-10-29)24-42-35(45)46-25-37(42)15-6-16-37/h4-5,7-8,11-14,29,31-32,39H,1-3,6,9-10,15-25H2,(H,40,43)/t31-,32-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 1.70E+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 | |
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