Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50405496'   

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))	BDBM50405496 (CHEMBL2115483) Show SMILES CC(C)CNC(=O)[C@](O)(CN=[N+]=[N-])C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H57N9O7/c1-24(2)20-40-34(50)37(52,22-42-46-38)19-31(47)28(16-25-12-8-6-9-13-25)43-33(49)30(18-27-21-39-23-41-27)44-32(48)29(17-26-14-10-7-11-15-26)45-35(51)53-36(3,4)5/h7,10-11,14-15,21,23-25,28-31,47,52H,6,8-9,12-13,16-20,22H2,1-5H3,(H,39,41)(H,40,50)(H,43,49)(H,44,48)(H,45,51)/t28-,29-,30-,31-,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 30: 1978-83 (1987) BindingDB Entry DOI: 10.7270/Q27943N5
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