Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50065667'   

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))	BDBM50065667 (CHEMBL3404002) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)N(C)Cc1cccc2OCOc12)C(C)C |r| Show InChI InChI=1S/C30H41N3O8/c1-20(2)33(29(34)21-10-11-24(37-5)26(14-21)38-13-7-12-36-4)18-23-15-31-16-27(23)41-30(35)32(3)17-22-8-6-9-25-28(22)40-19-39-25/h6,8-11,14,20,23,27,31H,7,12-13,15-19H2,1-5H3/t23-,27+/m0/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of human recombinant renin by TR-FRET assay				Bioorg Med Chem Lett 25: 1787-91 (2015) Article DOI: 10.1016/j.bmcl.2015.02.040 BindingDB Entry DOI: 10.7270/Q2RF5WPJ
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