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PubMed code 15482933

Compile data set for download or QSAR
Found 55 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50152808
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1 |r|
Show InChI InChI=1S/C36H40ClN5O2S/c37-30-13-11-26(12-14-30)22-33(40-35(43)32-23-27-6-1-2-7-28(27)25-39-32)36(44)42-19-17-41(18-20-42)34-10-4-3-8-29(34)24-38-16-15-31-9-5-21-45-31/h1-14,21,32-33,38-39H,15-20,22-25H2,(H,40,43)/t32-,33-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155393
PNG
(4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C30H38ClN5O2S/c31-25-11-9-23(10-12-25)21-27(34-29(37)8-3-14-32)30(38)36-18-16-35(17-19-36)28-7-2-1-5-24(28)22-33-15-13-26-6-4-20-39-26/h1-2,4-7,9-12,20,27,33H,3,8,13-19,21-22,32H2,(H,34,37)/t27-/m1/s1
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 14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155370
PNG
(CHEMBL186074 | Piperidine-3-carboxylic acid [(R)-1...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CCCNC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C32H40ClN5O2S/c33-27-11-9-24(10-12-27)21-29(36-31(39)26-6-3-14-34-23-26)32(40)38-18-16-37(17-19-38)30-8-2-1-5-25(30)22-35-15-13-28-7-4-20-41-28/h1-2,4-5,7-12,20,26,29,34-35H,3,6,13-19,21-23H2,(H,36,39)/t26?,29-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155390
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H36ClN5O2S/c30-24-9-7-22(8-10-24)20-26(33-28(36)11-13-31)29(37)35-17-15-34(16-18-35)27-6-2-1-4-23(27)21-32-14-12-25-5-3-19-38-25/h1-10,19,26,32H,11-18,20-21,31H2,(H,33,36)/t26-/m1/s1
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 21n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155401
PNG
(CHEMBL363122 | Piperidine-4-carboxylic acid [(R)-1...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CCNCC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C32H40ClN5O2S/c33-27-9-7-24(8-10-27)22-29(36-31(39)25-11-14-34-15-12-25)32(40)38-19-17-37(18-20-38)30-6-2-1-4-26(30)23-35-16-13-28-5-3-21-41-28/h1-10,21,25,29,34-35H,11-20,22-23H2,(H,36,39)/t29-/m1/s1
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 26n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155374
PNG
(2-Amino-4-methyl-pentanoic acid [(R)-1-(4-chloro-b...)
Show SMILES CC(C)CC(N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C32H42ClN5O2S/c1-23(2)20-28(34)31(39)36-29(21-24-9-11-26(33)12-10-24)32(40)38-17-15-37(16-18-38)30-8-4-3-6-25(30)22-35-14-13-27-7-5-19-41-27/h3-12,19,23,28-29,35H,13-18,20-22,34H2,1-2H3,(H,36,39)/t28?,29-/m1/s1
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 30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155383
PNG
(CHEMBL263066 | N-[(R)-1-(4-Chloro-benzyl)-2-oxo-2-...)
Show SMILES CN(C)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C30H38ClN5O2S/c1-34(2)22-29(37)33-27(20-23-9-11-25(31)12-10-23)30(38)36-17-15-35(16-18-36)28-8-4-3-6-24(28)21-32-14-13-26-7-5-19-39-26/h3-12,19,27,32H,13-18,20-22H2,1-2H3,(H,33,37)/t27-/m1/s1
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 38n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155372
PNG
(CHEMBL186737 | N-[(R)-1-(4-Chloro-benzyl)-2-oxo-2-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CC2CCCN2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C32H40ClN5O2S/c33-26-11-9-24(10-12-26)21-29(36-31(39)22-27-6-3-14-35-27)32(40)38-18-16-37(17-19-38)30-8-2-1-5-25(30)23-34-15-13-28-7-4-20-41-28/h1-2,4-5,7-12,20,27,29,34-35H,3,6,13-19,21-23H2,(H,36,39)/t27?,29-/m1/s1
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 40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155375
PNG
(CHEMBL364215 | N-[(R)-1-(4-Chloro-benzyl)-2-oxo-2-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)c2cccnc2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C32H34ClN5O2S/c33-27-11-9-24(10-12-27)21-29(36-31(39)26-6-3-14-34-23-26)32(40)38-18-16-37(17-19-38)30-8-2-1-5-25(30)22-35-15-13-28-7-4-20-41-28/h1-12,14,20,23,29,35H,13,15-19,21-22H2,(H,36,39)/t29-/m1/s1
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 41n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155380
PNG
(-(2R)-[2-aminoacetamido]-3-(4-chlorophenyl)propion...)
Show SMILES NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C28H34ClN5O2S/c29-23-9-7-21(8-10-23)18-25(32-27(35)19-30)28(36)34-15-13-33(14-16-34)26-6-2-1-4-22(26)20-31-12-11-24-5-3-17-37-24/h1-10,17,25,31H,11-16,18-20,30H2,(H,32,35)/t25-/m1/s1
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 44n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155397
PNG
(1-Amino-cyclopropanecarboxylic acid [(R)-1-(4-chlo...)
Show SMILES NC1(CC1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C30H36ClN5O2S/c31-24-9-7-22(8-10-24)20-26(34-29(38)30(32)12-13-30)28(37)36-17-15-35(16-18-36)27-6-2-1-4-23(27)21-33-14-11-25-5-3-19-39-25/h1-10,19,26,33H,11-18,20-21,32H2,(H,34,38)/t26-/m1/s1
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 46n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155387
PNG
(Azetidine-2-carboxylic acid [(R)-1-(4-chloro-benzy...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CCN2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C30H36ClN5O2S/c31-24-9-7-22(8-10-24)20-27(34-29(37)26-12-14-33-26)30(38)36-17-15-35(16-18-36)28-6-2-1-4-23(28)21-32-13-11-25-5-3-19-39-25/h1-10,19,26-27,32-33H,11-18,20-21H2,(H,34,37)/t26?,27-/m1/s1
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 48n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155389
PNG
(CHEMBL187957 | Pyrrolidine-2-carboxylic acid [(R)-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CCCN2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C31H38ClN5O2S/c32-25-11-9-23(10-12-25)21-28(35-30(38)27-7-3-14-34-27)31(39)37-18-16-36(17-19-37)29-8-2-1-5-24(29)22-33-15-13-26-6-4-20-40-26/h1-2,4-6,8-12,20,27-28,33-34H,3,7,13-19,21-22H2,(H,35,38)/t27?,28-/m1/s1
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 50n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155367
PNG
(2-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES CC(C)(N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C30H38ClN5O2S/c1-30(2,32)29(38)34-26(20-22-9-11-24(31)12-10-22)28(37)36-17-15-35(16-18-36)27-8-4-3-6-23(27)21-33-14-13-25-7-5-19-39-25/h3-12,19,26,33H,13-18,20-21,32H2,1-2H3,(H,34,38)/t26-/m1/s1
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 66n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155382
PNG
(4-(2R)-[2-methoxyacetamido]3-(4-chlorophenyl)propi...)
Show SMILES COCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H35ClN4O3S/c1-37-21-28(35)32-26(19-22-8-10-24(30)11-9-22)29(36)34-16-14-33(15-17-34)27-7-3-2-5-23(27)20-31-13-12-25-6-4-18-38-25/h2-11,18,26,31H,12-17,19-21H2,1H3,(H,32,35)/t26-/m1/s1
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 70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155368
PNG
(CHEMBL434345 | Piperidine-2-carboxylic acid [(R)-1...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CCCCN2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C32H40ClN5O2S/c33-26-12-10-24(11-13-26)22-29(36-31(39)28-8-3-4-15-35-28)32(40)38-19-17-37(18-20-38)30-9-2-1-6-25(30)23-34-16-14-27-7-5-21-41-27/h1-2,5-7,9-13,21,28-29,34-35H,3-4,8,14-20,22-23H2,(H,36,39)/t28?,29-/m1/s1
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 75n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155377
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-(4-{2-[1-(4-m...)
Show SMILES CC(N1CCN(C)CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C29H41ClN6O2/c1-22(34-15-13-33(2)14-16-34)25-5-3-4-6-27(25)35-17-19-36(20-18-35)29(38)26(32-28(37)11-12-31)21-23-7-9-24(30)10-8-23/h3-10,22,26H,11-21,31H2,1-2H3,(H,32,37)/t22?,26-/m1/s1
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 86n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155399
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES CC(NCCc1cccs1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C30H38ClN5O2S/c1-22(33-15-13-25-5-4-20-39-25)26-6-2-3-7-28(26)35-16-18-36(19-17-35)30(38)27(34-29(37)12-14-32)21-23-8-10-24(31)11-9-23/h2-11,20,22,27,33H,12-19,21,32H2,1H3,(H,34,37)/t22?,27-/m1/s1
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 110n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155371
PNG
(3-Amino-N-[(R)-2-(4-{2-[1-(2-amino-benzylamino)-et...)
Show SMILES CC(NCc1ccccc1N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C31H39ClN6O2/c1-22(35-21-24-6-2-4-8-27(24)34)26-7-3-5-9-29(26)37-16-18-38(19-17-37)31(40)28(36-30(39)14-15-33)20-23-10-12-25(32)13-11-23/h2-13,22,28,35H,14-21,33-34H2,1H3,(H,36,39)/t22?,28-/m1/s1
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 120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155385
PNG
(3-Amino-N-{(R)-1-(4-chloro-benzyl)-2-[4-(2-{1-[(fu...)
Show SMILES CC(NCc1ccco1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C29H36ClN5O3/c1-21(32-20-24-5-4-18-38-24)25-6-2-3-7-27(25)34-14-16-35(17-15-34)29(37)26(33-28(36)12-13-31)19-22-8-10-23(30)11-9-22/h2-11,18,21,26,32H,12-17,19-20,31H2,1H3,(H,33,36)/t21?,26-/m1/s1
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 140n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155386
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES CCC(NCCc1cccs1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C31H40ClN5O2S/c1-2-27(34-16-14-25-6-5-21-40-25)26-7-3-4-8-29(26)36-17-19-37(20-18-36)31(39)28(35-30(38)13-15-33)22-23-9-11-24(32)12-10-23/h3-12,21,27-28,34H,2,13-20,22,33H2,1H3,(H,35,38)/t27?,28-/m1/s1
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 140n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155388
PNG
(3-Amino-N-[(R)-2-(4-{2-[1-((1R,2R)-2-amino-cyclohe...)
Show SMILES CC(N[C@@H]1CCCC[C@H]1N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C30H43ClN6O2/c1-21(34-26-8-4-3-7-25(26)33)24-6-2-5-9-28(24)36-16-18-37(19-17-36)30(39)27(35-29(38)14-15-32)20-22-10-12-23(31)13-11-22/h2,5-6,9-13,21,25-27,34H,3-4,7-8,14-20,32-33H2,1H3,(H,35,38)/t21?,25-,26-,27-/m1/s1
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 150n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155406
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES CC(NCCN1CCCCC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C31H45ClN6O2/c1-24(34-15-18-36-16-5-2-6-17-36)27-7-3-4-8-29(27)37-19-21-38(22-20-37)31(40)28(35-30(39)13-14-33)23-25-9-11-26(32)12-10-25/h3-4,7-12,24,28,34H,2,5-6,13-23,33H2,1H3,(H,35,39)/t24?,28-/m1/s1
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 210n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155394
PNG
(3-Amino-N-{(R)-1-(4-chloro-benzyl)-2-[4-(2-{[methy...)
Show SMILES CN(CCc1cccs1)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C30H38ClN5O2S/c1-34(15-13-26-6-4-20-39-26)22-24-5-2-3-7-28(24)35-16-18-36(19-17-35)30(38)27(33-29(37)12-14-32)21-23-8-10-25(31)11-9-23/h2-11,20,27H,12-19,21-22,32H2,1H3,(H,33,37)/t27-/m1/s1
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 220n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155398
PNG
(3-Amino-propionic acid 1-(4-chloro-benzyl)-2-oxo-2...)
Show SMILES NCCC(=O)OC(Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H35ClN4O3S/c30-24-9-7-22(8-10-24)20-27(37-28(35)11-13-31)29(36)34-17-15-33(16-18-34)26-6-2-1-4-23(26)21-32-14-12-25-5-3-19-38-25/h1-10,19,27,32H,11-18,20-21,31H2
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 290n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155381
PNG
(3-Amino-N-{(R)-1-(4-chloro-benzyl)-2-[4-(2-{1-[2-(...)
Show SMILES CC(NCCNc1cccc2ccccc12)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C36H43ClN6O2/c1-26(39-19-20-40-32-11-6-8-28-7-2-3-10-31(28)32)30-9-4-5-12-34(30)42-21-23-43(24-22-42)36(45)33(41-35(44)17-18-38)25-27-13-15-29(37)16-14-27/h2-16,26,33,39-40H,17-25,38H2,1H3,(H,41,44)/t26?,33-/m1/s1
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 290n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155400
PNG
(2,2,2-Trifluoro-ethanesulfonic acid [(R)-1-(4-chlo...)
Show SMILES FC(F)(F)CS(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C28H32ClF3N4O3S2/c29-23-9-7-21(8-10-23)18-25(34-41(38,39)20-28(30,31)32)27(37)36-15-13-35(14-16-36)26-6-2-1-4-22(26)19-33-12-11-24-5-3-17-40-24/h1-10,17,25,33-34H,11-16,18-20H2/t25-/m1/s1
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 410n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155373
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES CC(N1CCN(CC1)c1ccccc1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C34H43ClN6O2/c1-26(38-17-19-39(20-18-38)29-7-3-2-4-8-29)30-9-5-6-10-32(30)40-21-23-41(24-22-40)34(43)31(37-33(42)15-16-36)25-27-11-13-28(35)14-12-27/h2-14,26,31H,15-25,36H2,1H3,(H,37,42)/t26?,31-/m1/s1
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 430n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155392
PNG
(3-Amino-N-[(R)-2-(4-{2-[1-(2-amino-phenylamino)-et...)
Show SMILES CC(Nc1ccccc1N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C30H37ClN6O2/c1-21(34-26-8-4-3-7-25(26)33)24-6-2-5-9-28(24)36-16-18-37(19-17-36)30(39)27(35-29(38)14-15-32)20-22-10-12-23(31)13-11-22/h2-13,21,27,34H,14-20,32-33H2,1H3,(H,35,38)/t21?,27-/m1/s1
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 470n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155384
PNG
((R)-2-Amino-3-(4-chloro-phenyl)-1-(4-{2-[(2-thioph...)
Show SMILES N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C26H31ClN4OS/c27-22-9-7-20(8-10-22)18-24(28)26(32)31-15-13-30(14-16-31)25-6-2-1-4-21(25)19-29-12-11-23-5-3-17-33-23/h1-10,17,24,29H,11-16,18-19,28H2/t24-/m1/s1
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 600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50155370
PNG
(CHEMBL186074 | Piperidine-3-carboxylic acid [(R)-1...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CCCNC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C32H40ClN5O2S/c33-27-11-9-24(10-12-27)21-29(36-31(39)26-6-3-14-34-23-26)32(40)38-18-16-37(17-19-38)30-8-2-1-5-25(30)22-35-15-13-28-7-4-20-41-28/h1-2,4-5,7-12,20,26,29,34-35H,3,6,13-19,21-23H2,(H,36,39)/t26?,29-/m1/s1
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 720n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 5 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50155375
PNG
(CHEMBL364215 | N-[(R)-1-(4-Chloro-benzyl)-2-oxo-2-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)c2cccnc2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C32H34ClN5O2S/c33-27-11-9-24(10-12-27)21-29(36-31(39)26-6-3-14-34-23-26)32(40)38-18-16-37(17-19-38)30-8-2-1-5-25(30)22-35-15-13-28-7-4-20-41-28/h1-12,14,20,23,29,35H,13,15-19,21-22H2,(H,36,39)/t29-/m1/s1
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 730n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 5 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50155380
PNG
(-(2R)-[2-aminoacetamido]-3-(4-chlorophenyl)propion...)
Show SMILES NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C28H34ClN5O2S/c29-23-9-7-21(8-10-23)18-25(32-27(35)19-30)28(36)34-15-13-33(14-16-34)26-6-2-1-4-22(26)20-31-12-11-24-5-3-17-37-24/h1-10,17,25,31H,11-16,18-20,30H2,(H,32,35)/t25-/m1/s1
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 990n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 5 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155396
PNG
(2-Amino-3-(2-chloro-phenyl)-1-(4-{2-[(2-thiophen-2...)
Show SMILES NC(Cc1ccccc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C26H31ClN4OS/c27-23-9-3-1-6-20(23)18-24(28)26(32)31-15-13-30(14-16-31)25-10-4-2-7-21(25)19-29-12-11-22-8-5-17-33-22/h1-10,17,24,29H,11-16,18-19,28H2
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 1.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50155393
PNG
(4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C30H38ClN5O2S/c31-25-11-9-23(10-12-25)21-27(34-29(37)8-3-14-32)30(38)36-18-16-35(17-19-36)28-7-2-1-5-24(28)22-33-15-13-26-6-4-20-39-26/h1-2,4-7,9-12,20,27,33H,3,8,13-19,21-22,32H2,(H,34,37)/t27-/m1/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 5 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50155390
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H36ClN5O2S/c30-24-9-7-22(8-10-24)20-26(33-28(36)11-13-31)29(37)35-17-15-34(16-18-35)27-6-2-1-4-23(27)21-32-14-12-25-5-3-19-38-25/h1-10,19,26,32H,11-18,20-21,31H2,(H,33,36)/t26-/m1/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 3 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50155390
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H36ClN5O2S/c30-24-9-7-22(8-10-24)20-26(33-28(36)11-13-31)29(37)35-17-15-34(16-18-35)27-6-2-1-4-23(27)21-32-14-12-25-5-3-19-38-25/h1-10,19,26,32H,11-18,20-21,31H2,(H,33,36)/t26-/m1/s1
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PubMed
 1.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 5 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155366
PNG
(3-(4-Chloro-phenyl)-1-(4-{2-[(2-thiophen-2-yl-ethy...)
Show SMILES Clc1ccc(CCC(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C26H30ClN3OS/c27-23-10-7-21(8-11-23)9-12-26(31)30-17-15-29(16-18-30)25-6-2-1-4-22(25)20-28-14-13-24-5-3-19-32-24/h1-8,10-11,19,28H,9,12-18,20H2
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 1.00E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50155393
PNG
(4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C30H38ClN5O2S/c31-25-11-9-23(10-12-25)21-27(34-29(37)8-3-14-32)30(38)36-18-16-35(17-19-36)28-7-2-1-5-24(28)22-33-15-13-26-6-4-20-39-26/h1-2,4-7,9-12,20,27,33H,3,8,13-19,21-22,32H2,(H,34,37)/t27-/m1/s1
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 1.20E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 1 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50155390
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H36ClN5O2S/c30-24-9-7-22(8-10-24)20-26(33-28(36)11-13-31)29(37)35-17-15-34(16-18-35)27-6-2-1-4-23(27)21-32-14-12-25-5-3-19-38-25/h1-10,19,26,32H,11-18,20-21,31H2,(H,33,36)/t26-/m1/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 1 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50155370
PNG
(CHEMBL186074 | Piperidine-3-carboxylic acid [(R)-1...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CCCNC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C32H40ClN5O2S/c33-27-11-9-24(10-12-27)21-29(36-31(39)26-6-3-14-34-23-26)32(40)38-18-16-37(17-19-38)30-8-2-1-5-25(30)22-35-15-13-28-7-4-20-41-28/h1-2,4-5,7-12,20,26,29,34-35H,3,6,13-19,21-23H2,(H,36,39)/t26?,29-/m1/s1
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 1.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 3 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50155393
PNG
(4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C30H38ClN5O2S/c31-25-11-9-23(10-12-25)21-27(34-29(37)8-3-14-32)30(38)36-18-16-35(17-19-36)28-7-2-1-5-24(28)22-33-15-13-26-6-4-20-39-26/h1-2,4-7,9-12,20,27,33H,3,8,13-19,21-22,32H2,(H,34,37)/t27-/m1/s1
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 1.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 3 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155379
PNG
(2-Amino-2-(4-chloro-phenyl)-1-(4-{2-[(2-thiophen-2...)
Show SMILES NC(C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4OS/c26-21-9-7-19(8-10-21)24(27)25(31)30-15-13-29(14-16-30)23-6-2-1-4-20(23)18-28-12-11-22-5-3-17-32-22/h1-10,17,24,28H,11-16,18,27H2
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 1.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50155375
PNG
(CHEMBL364215 | N-[(R)-1-(4-Chloro-benzyl)-2-oxo-2-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)c2cccnc2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C32H34ClN5O2S/c33-27-11-9-24(10-12-27)21-29(36-31(39)26-6-3-14-34-23-26)32(40)38-18-16-37(17-19-38)30-8-2-1-5-25(30)22-35-15-13-28-7-4-20-41-28/h1-12,14,20,23,29,35H,13,15-19,21-22H2,(H,36,39)/t29-/m1/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 3 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50155380
PNG
(-(2R)-[2-aminoacetamido]-3-(4-chlorophenyl)propion...)
Show SMILES NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C28H34ClN5O2S/c29-23-9-7-21(8-10-23)18-25(32-27(35)19-30)28(36)34-15-13-33(14-16-34)26-6-2-1-4-22(26)20-31-12-11-24-5-3-17-37-24/h1-10,17,25,31H,11-16,18-20,30H2,(H,32,35)/t25-/m1/s1
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 1.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 3 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50155370
PNG
(CHEMBL186074 | Piperidine-3-carboxylic acid [(R)-1...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CCCNC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C32H40ClN5O2S/c33-27-11-9-24(10-12-27)21-29(36-31(39)26-6-3-14-34-23-26)32(40)38-18-16-37(17-19-38)30-8-2-1-5-25(30)22-35-15-13-28-7-4-20-41-28/h1-2,4-5,7-12,20,26,29,34-35H,3,6,13-19,21-23H2,(H,36,39)/t26?,29-/m1/s1
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 2.30E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 1 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155402
PNG
(2-(4-Chloro-phenyl)-2-methyl-1-(4-{2-[(2-thiophen-...)
Show SMILES CC(C)(C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32ClN3OS/c1-27(2,22-9-11-23(28)12-10-22)26(32)31-17-15-30(16-18-31)25-8-4-3-6-21(25)20-29-14-13-24-7-5-19-33-24/h3-12,19,29H,13-18,20H2,1-2H3
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 3.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155395
PNG
(2-Amino-3-(4-chloro-phenyl)-1-(4-{2-[(2-thiophen-2...)
Show SMILES NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C26H31ClN4OS/c27-22-9-7-20(8-10-22)18-24(28)26(32)31-15-13-30(14-16-31)25-6-2-1-4-21(25)19-29-12-11-23-5-3-17-33-23/h1-10,17,24,29H,11-16,18-19,28H2
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 3.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155391
PNG
(3-Amino-3-(4-chloro-phenyl)-1-(4-{2-[(2-thiophen-2...)
Show SMILES NC(CC(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClN4OS/c27-22-9-7-20(8-10-22)24(28)18-26(32)31-15-13-30(14-16-31)25-6-2-1-4-21(25)19-29-12-11-23-5-3-17-33-23/h1-10,17,24,29H,11-16,18-19,28H2
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 5.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155405
PNG
(2-Aminomethyl-3-(4-chloro-phenyl)-1-(4-{2-[(2-thio...)
Show SMILES NCC(Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C27H33ClN4OS/c28-24-9-7-21(8-10-24)18-23(19-29)27(33)32-15-13-31(14-16-32)26-6-2-1-4-22(26)20-30-12-11-25-5-3-17-34-25/h1-10,17,23,30H,11-16,18-20,29H2
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 6.40E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155376
PNG
(2-(4-Chloro-phenyl)-2-hydroxy-1-(4-{2-[(2-thiophen...)
Show SMILES OC(C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN3O2S/c26-21-9-7-19(8-10-21)24(30)25(31)29-15-13-28(14-16-29)23-6-2-1-4-20(23)18-27-12-11-22-5-3-17-32-22/h1-10,17,24,27,30H,11-16,18H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155404
PNG
(2-(4-Chloro-phenyl)-1-(4-{2-[(2-thiophen-2-yl-ethy...)
Show SMILES Clc1ccc(CC(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
Show InChI InChI=1S/C25H28ClN3OS/c26-22-9-7-20(8-10-22)18-25(30)29-15-13-28(14-16-29)24-6-2-1-4-21(24)19-27-12-11-23-5-3-17-31-23/h1-10,17,27H,11-16,18-19H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155378
PNG
((+/-)-1-(1-(4-fluorophenyl)-2-{4-[4-(2-methoxy-1-n...)
Show SMILES COc1ccc2ccccc2c1CCCCN1CCN(CC(N2CCN(C)CC2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C32H43FN4O/c1-34-17-23-37(24-18-34)31(27-10-13-28(33)14-11-27)25-36-21-19-35(20-22-36)16-6-5-9-30-29-8-4-3-7-26(29)12-15-32(30)38-2/h3-4,7-8,10-15,31H,5-6,9,16-25H2,1-2H3
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n/an/a 7.90n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155369
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc[nH]1
Show InChI InChI=1S/C18H16BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8-11H,5,7H2,1H3,(H,21,22)
PDB

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UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50155403
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nc(C)c[nH]1
Show InChI InChI=1S/C19H18BrClN2O/c1-12-11-22-19(23-12)16-4-3-5-17(21)15(16)8-6-13-10-14(20)7-9-18(13)24-2/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor

Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%