BDBM17196 (3R)-3-{4-[2-(3-methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetamido]phenyl}butanoic acid::Amide antagonist, 8
SMILES: COc1cc(CC(=O)Nc2ccc(cc2)[C@H](C)CC(O)=O)ccc1NC(=O)Nc1ccccc1C
InChI Key: InChIKey=VOCBDNRGLAJDJJ-GOSISDBHSA-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)) | BDBM17196 ((3R)-3-{4-[2-(3-methoxy-4-{[(2-methylphenyl)carbam...) | PDB B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.790 | -12.3 | 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 |