Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022610'   

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))	BDBM50022610 (CHEMBL3348557 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...) Show SMILES CC(C)[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C33H51N5O6/c1-21(2)28(39)29(40)25(16-22-12-8-6-9-13-22)36-31(42)27(18-24-19-34-20-35-24)37-30(41)26(17-23-14-10-7-11-15-23)38-32(43)44-33(3,4)5/h7,10-11,14-15,19-22,25-29,39-40H,6,8-9,12-13,16-18H2,1-5H3,(H,34,35)(H,36,42)(H,37,41)(H,38,43)/t25-,26?,27?,28?,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity was tested against purified human renal renin				J Med Chem 31: 2264-76 (1989) BindingDB Entry DOI: 10.7270/Q2T72GDD
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