Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM18327'   

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))	BDBM18327 ((2S,4S,5S,7S)-5-amino-N-[(1S)-1-carbamoyl-2-hydrox...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C28H49N3O7/c1-17(2)20(12-19-8-9-25(37-6)26(13-19)38-11-7-10-36-5)14-22(29)24(33)15-21(18(3)4)28(35)31-23(16-32)27(30)34/h8-9,13,17-18,20-24,32-33H,7,10-12,14-16,29H2,1-6H3,(H2,30,34)(H,31,35)/t20-,21-,22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
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