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BDBM18342 (2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-N-[2-(morpholin-4-yl)ethyl]-2-(propan-2-yl)nonanamide::2,7-dialkyl-substituted 8-phenyl-octanecarboxamide, 52

SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC

InChI Key: InChIKey=RFNPLSNMDRXZBX-LJWNLINESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 18342   
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))		BDBM18342
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)NCCN2CCOCC2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C31H55N3O6/c1-22(2)25(18-24-8-9-29(38-6)30(19-24)40-15-7-14-37-5)20-27(32)28(35)21-26(23(3)4)31(36)33-10-11-34-12-16-39-17-13-34/h8-9,19,22-23,25-28,35H,7,10-18,20-21,32H2,1-6H3,(H,33,36)/t25-,26-,27-,28-/m0/s1
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Article
PubMed
n/an/a 0.400n/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