Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50065665'   

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))	BDBM50065665 (CHEMBL3404004) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)N(C)Cc1ccccc1-n1cccc1)C(C)C |r| Show InChI InChI=1S/C33H44N4O6/c1-24(2)37(32(38)25-13-14-29(41-5)30(19-25)42-18-10-17-40-4)23-27-20-34-21-31(27)43-33(39)35(3)22-26-11-6-7-12-28(26)36-15-8-9-16-36/h6-9,11-16,19,24,27,31,34H,10,17-18,20-23H2,1-5H3/t27-,31+/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	9	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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