Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50289715'   

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))	BDBM50289715 (1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid [(S)-1...) Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cccnc2[nH]1 Show InChI InChI=1S/C28H40N6O4/c1-17(2)24(35)14-25(36)21(11-18-7-4-3-5-8-18)33-28(38)23(13-20-15-29-16-31-20)34-27(37)22-12-19-9-6-10-30-26(19)32-22/h6,9-10,12,15-18,21,23-25,35-36H,3-5,7-8,11,13-14H2,1-2H3,(H,29,31)(H,30,32)(H,33,38)(H,34,37)/t21-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50				Bioorg Med Chem Lett 7: 1863-1868 (1997) Article DOI: 10.1016/S0960-894X(97)00323-5 BindingDB Entry DOI: 10.7270/Q2K64J20
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