Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50245371'   

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))	BDBM50245371 ((2R)-1-(4-(2-(1-amino-3-methylbutyl)phenyl)piperaz...) Show SMILES CC(C)CC(N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N(Cc1ccccn1)Cc1ccccn1 |r| Show InChI InChI=1S/C36H42Cl2N6O/c1-26(2)21-33(39)31-11-3-4-12-34(31)42-17-19-43(20-18-42)36(45)35(22-27-13-14-28(37)23-32(27)38)44(24-29-9-5-7-15-40-29)25-30-10-6-8-16-41-30/h3-16,23,26,33,35H,17-22,24-25,39H2,1-2H3/t33?,35-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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
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