Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50329013'   

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))	BDBM50329013 ((6-(2-(dimethylamino)ethoxy)-2-(5-fluoro-2-methylp...) Show SMILES CN(C)CCOc1ccc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1 Show InChI InChI=1S/C30H33FN4O3/c1-21-9-10-22(31)19-27(21)38-30-28(29(36)34-15-13-32-14-16-34)25-12-11-24(37-18-17-33(2)3)20-26(25)35(30)23-7-5-4-6-8-23/h4-12,19-20,32H,13-18H2,1-3H3	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	29	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
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