Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50011693'   

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))	BDBM50011693 (CHEMBL352839 | {1-[1-{1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCN(CCO)C1=O Show InChI InChI=1S/C35H52N6O7/c1-35(2,3)48-34(47)40-28(19-24-12-8-5-9-13-24)31(44)39-29(20-25-21-36-22-37-25)32(45)38-27(18-23-10-6-4-7-11-23)30(43)26-14-15-41(16-17-42)33(26)46/h5,8-9,12-13,21-23,26-30,42-43H,4,6-7,10-11,14-20H2,1-3H3,(H,36,37)(H,38,45)(H,39,44)(H,40,47)/t26-,27-,28-,29-,30-/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	7.70	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay				J Med Chem 34: 887-900 (1991) BindingDB Entry DOI: 10.7270/Q2MK6DGK
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