Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50352978'   

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))	BDBM50352978 (CHEMBL1824952) Show SMILES CCC[C@H]1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(-c2ccccc2)c2cccnc12 |r| Show InChI InChI=1S/C29H32N4O2/c1-4-10-22-19-32(18-17-30-22)28(34)25-26-24(15-9-16-31-26)33(23-13-6-5-7-14-23)29(25)35-27-20(2)11-8-12-21(27)3/h5-9,11-16,22,30H,4,10,17-19H2,1-3H3/t22-/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	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...				Bioorg Med Chem Lett 21: 5480-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.114 BindingDB Entry DOI: 10.7270/Q2HH6KFK
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