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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17196   

TargetIntegrin alpha-4/beta-1 [T112H](Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM17196((3R)-3-{4-[2-(3-methoxy-4-{[(2-methylphenyl)carbam...)
Affinity DataKi:  0.790nM ΔG°:  -12.3kcal/molepH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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