Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50046785'   

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))	BDBM50046785 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1 Show InChI InChI=1S/C36H56N6O5/c1-25(2)20-32(43)34(45)30(22-27-12-8-5-9-13-27)38-36(47)31(24-29-14-15-37-40-29)39-35(46)28(21-26-10-6-4-7-11-26)23-33(44)42-18-16-41(3)17-19-42/h4,6-7,10-11,14-15,25,27-28,30-32,34,43,45H,5,8-9,12-13,16-24H2,1-3H3,(H,37,40)(H,38,47)(H,39,46)/t28-,30+,31+,32+,34-/m1/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	2.80	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human plasma renin at pH 7.4				J Med Chem 36: 449-59 (1993) BindingDB Entry DOI: 10.7270/Q20K27M6
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