Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50280491'   

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
Renin (Homo sapiens (Human))	BDBM50280491 ((S)-6-(4-Methoxy-phenyl)-5-(3-methyl-butyrylamino)...) Show SMILES COc1ccc(C[C@H](NC(=O)CC(C)C)C(=O)CCC(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)CN)cc1 |r| Show InChI InChI=1S/C29H43F2N3O5/c1-19(2)15-27(37)33-23(16-21-9-11-22(39-3)12-10-21)25(35)13-14-26(36)34-24(28(38)29(30,31)18-32)17-20-7-5-4-6-8-20/h9-12,19-20,23-24H,4-8,13-18,32H2,1-3H3,(H,33,37)(H,34,36)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit human plasma renin by 50% using radio-immunoassay was determined				Bioorg Med Chem Lett 2: 651-654 (1992) Article DOI: 10.1016/S0960-894X(00)80383-2 BindingDB Entry DOI: 10.7270/Q2KP822J
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