Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50245367'   

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))	BDBM50245367 ((2R)-1-(4-(2-(1-amino-3-methylbutyl)phenyl)piperaz...) Show SMILES CSCCCN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(N)CC(C)C |r| Show InChI InChI=1S/C28H40Cl2N4OS/c1-20(2)17-25(31)23-7-4-5-8-27(23)33-12-14-34(15-13-33)28(35)26(32-11-6-16-36-3)18-21-9-10-22(29)19-24(21)30/h4-5,7-10,19-20,25-26,32H,6,11-18,31H2,1-3H3/t25?,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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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