Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50152808'   

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))	BDBM50152808 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 1281-8 (2005) Article DOI: 10.1124/jpet.105.083337 BindingDB Entry DOI: 10.7270/Q2154FMM
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152808 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human MC4 receptor				Bioorg Med Chem Lett 18: 4817-22 (2008) Article DOI: 10.1016/j.bmcl.2008.07.076 BindingDB Entry DOI: 10.7270/Q24T6J75
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152808 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125]NDP-MSH from human MC4 receptor expressed in HEK293 cells				J Med Chem 47: 6821-30 (2004) Article DOI: 10.1021/jm049278i BindingDB Entry DOI: 10.7270/Q2610ZSQ
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152808 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152808 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 4 receptor expressed in HEK 293 cells using [125I]NDP-MSH				Bioorg Med Chem Lett 15: 833-7 (2005) Article DOI: 10.1016/j.bmcl.2004.10.096 BindingDB Entry DOI: 10.7270/Q23T9GQF
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152808 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50152808 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production				J Med Chem 47: 6821-30 (2004) Article DOI: 10.1021/jm049278i BindingDB Entry DOI: 10.7270/Q2610ZSQ
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152808 ((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	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	357	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair