Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50421767'   

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))	BDBM50421767 (CHEMBL312075 | CHEMBL3142324) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1 |r| Show InChI InChI=1S/C42H69N5O10/c1-25(2)20-30(33(48)23-35(50)43-27(5)38(52)44-31(21-26(3)4)34(49)24-36(51)56-9)45-40(54)37(29-18-14-11-15-19-29)47-39(53)32(22-28-16-12-10-13-17-28)46-41(55)57-42(6,7)8/h10,12-13,16-17,25-27,29-34,37,48-49H,11,14-15,18-24H2,1-9H3,(H,43,50)(H,44,52)(H,45,54)(H,46,55)(H,47,53)	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	151	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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