Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022624'   

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))	BDBM50022624 (CHEMBL3348549 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...) Show SMILES 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/C32H49N5O6/c1-5-27(38)28(39)24(16-21-12-8-6-9-13-21)35-30(41)26(18-23-19-33-20-34-23)36-29(40)25(17-22-14-10-7-11-15-22)37-31(42)43-32(2,3)4/h7,10-11,14-15,19-21,24-28,38-39H,5-6,8-9,12-13,16-18H2,1-4H3,(H,33,34)(H,35,41)(H,36,40)(H,37,42)/t24-,25?,26?,27?,28+/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	2	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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