BDBM17165 3-(4-{[3-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)-2-oxo-1,2-dihydropyridin-1-yl]methyl}phenyl)propanoic acid::Pyridone analog, 10::Pyridone derivative, 11
SMILES: Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
InChI Key: InChIKey=RYYQCANRHNEFSA-UHFFFAOYSA-N
Data: 2 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)) | BDBM17165 (3-(4-{[3-(4-{[(2-methylphenyl)carbamoyl]amino}phen...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | -11.7 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha4beta1 (VLA-4) (Homo sapiens (Human)) | BDBM17165 (3-(4-{[3-(4-{[(2-methylphenyl)carbamoyl]amino}phen...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 2.51 | -11.6 | 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 | |||||||||||
More data for this Ligand-Target Pair |