Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50066157'   

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))	BDBM50066157 (CHEMBL3400456) Show SMILES CCCS(=O)(=O)N[C@@H]1CNC[C@H]1CN(C(C)C)C(=O)c1ccc(OC)c(OCCCOC)c1 |r| Show InChI InChI=1S/C23H39N3O6S/c1-6-12-33(28,29)25-20-15-24-14-19(20)16-26(17(2)3)23(27)18-8-9-21(31-5)22(13-18)32-11-7-10-30-4/h8-9,13,17,19-20,24-25H,6-7,10-12,14-16H2,1-5H3/t19-,20+/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of recombinant human renin by fluorescence based FRET assay				Bioorg Med Chem Lett 25: 1782-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.039 BindingDB Entry DOI: 10.7270/Q2Z039TX
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