Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50291957'   

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))	BDBM50291957 ((R)-2-(2-Amino-thiazol-4-ylmethyl)-N*4*-cyclohepty...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC1CCCCCC1)CC(=O)N(C)CCc1ccccn1)Cc1csc(N)n1 Show InChI InChI=1S/C40H64N6O5S/c1-28(2)21-35(47)38(50)34(22-29-13-9-6-10-14-29)44-39(51)31(23-33-27-52-40(41)43-33)24-36(48)46(25-30-15-7-4-5-8-16-30)26-37(49)45(3)20-18-32-17-11-12-19-42-32/h11-12,17,19,27-31,34-35,38,47,50H,4-10,13-16,18,20-26H2,1-3H3,(H2,41,43)(H,44,51)/t31-,34+,35+,38-/m1/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	n/a	n/a	n/a	0.000234	8.63	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Component acylation rate constant by the compound against Renin was determined				J Med Chem 38: 1751-61 (1995) BindingDB Entry DOI: 10.7270/Q2K35SQR
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