Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50329011'   

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))	BDBM50329011 ((2-(3-fluoro-2-methylbenzyl)-6-(methylsulfonyl)-1-...) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(cc2n1-c1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C28H28FN3O3S/c1-19-20(7-6-10-24(19)29)17-26-27(28(33)31-15-13-30-14-16-31)23-12-11-22(36(2,34)35)18-25(23)32(26)21-8-4-3-5-9-21/h3-12,18,30H,13-17H2,1-2H3	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	44	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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