Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50329032'   

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))	BDBM50329032 (2-(5-fluoro-2-methylphenoxy)-1-phenyl-3-(piperazin...) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(ccc2n1-c1ccccc1)C(N)=O Show InChI InChI=1S/C27H25FN4O3/c1-17-7-9-19(28)16-23(17)35-27-24(26(34)31-13-11-30-12-14-31)21-15-18(25(29)33)8-10-22(21)32(27)20-5-3-2-4-6-20/h2-10,15-16,30H,11-14H2,1H3,(H2,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)