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BDBM17178 (3S)-3-(4-{[3-(4-{[(2-methylphenyl)carbamoyl]amino}-3-(trifluoromethoxy)phenyl)-2-oxo-1,2-dihydropyridin-1-yl]methyl}phenyl)butanoic acid::Pyridone derivative, 24

SMILES: C[C@@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)c(OC(F)(F)F)c3)c2=O)cc1

InChI Key: InChIKey=YJRWACIJULOWIO-FQEVSTJZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17178   
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
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))		BDBM17178
PNG
((3S)-3-(4-{[3-(4-{[(2-methylphenyl)carbamoyl]amino...)
Show SMILES C[C@@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)c(OC(F)(F)F)c3)c2=O)cc1 |r|
Show InChI InChI=1S/C31H28F3N3O5/c1-19-6-3-4-8-25(19)35-30(41)36-26-14-13-23(17-27(26)42-31(32,33)34)24-7-5-15-37(29(24)40)18-21-9-11-22(12-10-21)20(2)16-28(38)39/h3-15,17,20H,16,18H2,1-2H3,(H,38,39)(H2,35,36,41)/t20-/m0/s1
PDB

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Similars
Article
PubMed
 19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
J6 cells (1 million cells/well) were allowed to coat wheat germ agglutinin coated SPA beads (Amersham, 1 mg/well) in assay buffer. Tritiated 3H Stand...

Bioorg Med Chem Lett 16: 5538-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.044
BindingDB Entry DOI: 10.7270/Q24Q7S8V
More data for this
Ligand-Target Pair