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
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)) | BDBM17178 ((3S)-3-(4-{[3-(4-{[(2-methylphenyl)carbamoyl]amino...) | PDB B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |