BDBM17158 3-(4-{[3-(3-methoxy-4-{[(2-methoxyphenyl)carbamoyl]amino}phenyl)-2-oxo-1,2-dihydropyridin-1-yl]methyl}phenyl)propanoic acid::Pyridone derivative, 4

SMILES: COc1ccccc1NC(=O)Nc1ccc(cc1OC)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O

InChI Key: InChIKey=ZGVUZPIYOSOTEU-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17158   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Integrin alpha4beta1 (VLA-4) (Homo sapiens (Human))	BDBM17158 (3-(4-{[3-(3-methoxy-4-{[(2-methoxyphenyl)carbamoyl...) Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1OC)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O Show InChI InChI=1S/C30H29N3O6/c1-38-26-8-4-3-7-24(26)31-30(37)32-25-15-14-22(18-27(25)39-2)23-6-5-17-33(29(23)36)19-21-11-9-20(10-12-21)13-16-28(34)35/h3-12,14-15,17-18H,13,16,19H2,1-2H3,(H,34,35)(H2,31,32,37)	PDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.31	-11.1	n/a	n/a	n/a	n/a	n/a	7.5	22
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
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