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BDBM18344 (2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-N-[2-methyl-2-(morpholin-4-yl)propyl]-2-(propan-2-yl)nonanamide::2,7-dialkyl-substituted 8-phenyl-octanecarboxamide, 54

SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N2CCOCC2)C(C)C)ccc1OC

InChI Key: InChIKey=ZYTAQNNNERNCLD-DZUOILHNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18344   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Renin


(Homo sapiens (Human))		BDBM18344
PNG
((2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N2CCOCC2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C33H59N3O6/c1-23(2)26(18-25-10-11-30(40-8)31(19-25)42-15-9-14-39-7)20-28(34)29(37)21-27(24(3)4)32(38)35-22-33(5,6)36-12-16-41-17-13-36/h10-11,19,23-24,26-29,37H,9,12-18,20-22,34H2,1-8H3,(H,35,38)/t26-,27-,28-,29-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



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
More data for this
Ligand-Target Pair