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BDBM17172 (3R)-3-(4-{[3-(3-ethoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)-2-oxo-1,2-dihydropyridin-1-yl]methyl}phenyl)butanoic acid::Pyridone derivative, 18

SMILES: CCOc1cc(ccc1NC(=O)Nc1ccccc1C)-c1cccn(Cc2ccc(cc2)[C@H](C)CC(O)=O)c1=O

InChI Key: InChIKey=IROXMOAIEFLDBH-JOCHJYFZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17172   
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))		BDBM17172
PNG
((3R)-3-(4-{[3-(3-ethoxy-4-{[(2-methylphenyl)carbam...)
Show SMILES CCOc1cc(ccc1NC(=O)Nc1ccccc1C)-c1cccn(Cc2ccc(cc2)[C@H](C)CC(O)=O)c1=O |r|
Show InChI InChI=1S/C32H33N3O5/c1-4-40-29-19-25(15-16-28(29)34-32(39)33-27-10-6-5-8-21(27)2)26-9-7-17-35(31(26)38)20-23-11-13-24(14-12-23)22(3)18-30(36)37/h5-17,19,22H,4,18,20H2,1-3H3,(H,36,37)(H2,33,34,39)/t22-/m1/s1
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Similars
Article
PubMed
 2n/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