Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50006846'   

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))	BDBM50006846 (4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...) Show SMILES CCOC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C32H44F2N6O8S2/c1-2-48-30(44)32(33,34)27(41)24(17-21-9-5-3-6-10-21)37-28(42)25(19-23-20-49-31(35)36-23)38-29(43)26(18-22-11-7-4-8-12-22)39-50(45,46)40-13-15-47-16-14-40/h4,7-8,11-12,20-21,24-26,39H,2-3,5-6,9-10,13-19H2,1H3,(H2,35,36)(H,37,42)(H,38,43)/t24-,25-,26-/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	0.540	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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