Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50006854'   

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))	BDBM50006854 (CHEMBL88069 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyc...) Show SMILES CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H50N6O7S2/c1-2-25(39)20-29(40)26(17-22-9-5-3-6-10-22)35-30(41)27(19-24-21-46-32(33)34-24)36-31(42)28(18-23-11-7-4-8-12-23)37-47(43,44)38-13-15-45-16-14-38/h4,7-8,11-12,21-22,25-29,37,39-40H,2-3,5-6,9-10,13-20H2,1H3,(H2,33,34)(H,35,41)(H,36,42)/t25-,26-,27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co. Curated by ChEMBL					Assay Description In vitro inhibition of monkey renin.				J Med Chem 35: 2562-72 (1992) BindingDB Entry DOI: 10.7270/Q2ZK5H8V
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