Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50421769'   

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))	BDBM50421769 (CHEMBL3142320 | CHEMBL75210) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC |r| Show InChI InChI=1S/C40H67N5O10/c1-11-12-18-28(42-38(52)31(21-27-16-14-13-15-17-27)45-39(53)55-40(7,8)9)37(51)44-29(19-24(2)3)32(46)22-34(48)41-26(6)36(50)43-30(20-25(4)5)33(47)23-35(49)54-10/h13-17,24-26,28-33,46-47H,11-12,18-23H2,1-10H3,(H,41,48)(H,42,52)(H,43,50)(H,44,51)(H,45,53)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI Recherche Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 30: 2287-91 (1988) BindingDB Entry DOI: 10.7270/Q2D50P7G
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