Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 525.7 BDBM18276

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM18276 ((2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCc2ccncc2)c1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C32H51N3O3/c1-8-9-14-35-31(37)23(4)17-29(36)28(33)20-26(22(2)3)18-25-10-11-27(32(5,6)7)30(19-25)38-21-24-12-15-34-16-13-24/h10-13,15-16,19,22-23,26,28-29,36H,8-9,14,17-18,20-21,33H2,1-7H3,(H,35,37)/t23-,26+,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	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: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
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