Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50330358'   

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 (Macaca mulatta)	BDBM50330358 ((2S)-N-((2S,3R,4S)-3,4-dihydroxy-6-methyl-1-(4-(na...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCC(=CC1)c1cccc2ccccc12)NC(=O)[C@H](CC=C)NC(=O)CNS(=O)(=O)N1CCOCC1 |r,c:13| Show InChI InChI=1S/C35H50N4O7S/c1-4-8-30(37-33(41)23-36-47(44,45)39-17-19-46-20-18-39)35(43)38-31(34(42)32(40)21-24(2)3)22-25-13-15-27(16-14-25)29-12-7-10-26-9-5-6-11-28(26)29/h4-7,9-12,15,24-25,30-32,34,36,40,42H,1,8,13-14,16-23H2,2-3H3,(H,37,41)(H,38,43)/t25?,30-,31-,32-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of renin in monkey plasma				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
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