Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50003166'   

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))	BDBM50003166 ((diastereomer-1)[1-(6-Cyclohexylmethyl-7-hydroxy-4...) Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O Show InChI InChI=1S/C31H45N3O9/c1-31(2,3)43-30(40)34-23(18-21-13-8-5-9-14-21)27(37)33-24-19-42-25(35)15-10-16-41-29(39)26(36)22(32-28(24)38)17-20-11-6-4-7-12-20/h5,8-9,13-14,20,22-24,26,36H,4,6-7,10-12,15-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t22-,23?,24-,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	58	n/a	n/a	n/a	n/a	7.4	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human renin inhibition (at pH 7.4)				J Med Chem 35: 3755-73 (1992) BindingDB Entry DOI: 10.7270/Q26W9BPZ
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