Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50261225'   

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))	BDBM50261225 (1-{2-[(1S)-(Methylaminoethyl)amino-2-methylpropyl]...) Show SMILES CNCCN[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H38ClFN4O/c1-19(2)25(31-13-12-30-4)23-6-5-7-24(29)26(23)32-14-16-33(17-15-32)27(34)20(3)18-21-8-10-22(28)11-9-21/h5-11,19-20,25,30-31H,12-18H2,1-4H3/t20-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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 human MC4R expressed in HEK293 cells				Bioorg Med Chem 16: 5606-18 (2008) Article DOI: 10.1016/j.bmc.2008.03.072 BindingDB Entry DOI: 10.7270/Q2TX3F54
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50261225 (1-{2-[(1S)-(Methylaminoethyl)amino-2-methylpropyl]...) Show SMILES CNCCN[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H38ClFN4O/c1-19(2)25(31-13-12-30-4)23-6-5-7-24(29)26(23)32-14-16-33(17-15-32)27(34)20(3)18-21-8-10-22(28)11-9-21/h5-11,19-20,25,30-31H,12-18H2,1-4H3/t20-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of alpha-MSH-induced cAMP production by ELISA				Bioorg Med Chem 16: 5606-18 (2008) Article DOI: 10.1016/j.bmc.2008.03.072 BindingDB Entry DOI: 10.7270/Q2TX3F54
					More data for this Ligand-Target Pair