Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50131696'   

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))	BDBM50131696 (CHEMBL3633309) Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(CN3CCCCC3)nn2)C(C)C)ccc1OC |r| Show InChI InChI=1S/C38H66N6O5.ClH/c1-27(2)30(19-29-13-14-35(48-8)36(20-29)49-18-12-17-47-7)21-33(39)34(45)22-32(28(3)4)37(46)40-25-38(5,6)26-44-24-31(41-42-44)23-43-15-10-9-11-16-43;/h13-14,20,24,27-28,30,32-34,45H,9-12,15-19,21-23,25-26,39H2,1-8H3,(H,40,46);1H/t30-,32-,33-,34-;/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	1	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis				Eur J Med Chem 103: 269-88 (2015) Article DOI: 10.1016/j.ejmech.2015.08.060 BindingDB Entry DOI: 10.7270/Q21J9CNX
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