BDBM17193 2-(4-{[3-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)-2-oxo-1,2-dihydropyridin-1-yl]methyl}phenyl)acetic acid::Pyridone analog, 14

SMILES: Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccn(Cc2ccc(CC(O)=O)cc2)c1=O

InChI Key: InChIKey=YDSHGKWTPATILZ-UHFFFAOYSA-N

Data: 1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17193   

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 alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM17193 (2-(4-{[3-(4-{[(2-methylphenyl)carbamoyl]amino}phen...) Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccn(Cc2ccc(CC(O)=O)cc2)c1=O Show InChI InChI=1S/C28H25N3O4/c1-19-5-2-3-7-25(19)30-28(35)29-23-14-12-22(13-15-23)24-6-4-16-31(27(24)34)18-21-10-8-20(9-11-21)17-26(32)33/h2-16H,17-18H2,1H3,(H,32,33)(H2,29,30,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	251	-8.91	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: 2256-9 (2006) Article DOI: 10.1016/j.bmcl.2006.01.025 BindingDB Entry DOI: 10.7270/Q2125QWV
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