Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50311802'   

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))	BDBM50311802 (4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2(F)F)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18| Show InChI InChI=1S/C31H27Cl3F4N2O2/c32-23-5-1-4-20(27(23)33)16-40(21-10-11-21)30(41)22-15-39-17-31(37,38)26(22)19-8-6-18(7-9-19)3-2-14-42-29-25(36)13-12-24(35)28(29)34/h1,4-9,12-13,21,39H,2-3,10-11,14-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				Bioorg Med Chem Lett 19: 6762-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.104 BindingDB Entry DOI: 10.7270/Q23F4PRP
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