BDBM17187 3-(4-{[4-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)-1H-pyrazol-1-yl]methyl}phenyl)propanoic acid::C-ring heterocyclic urea, 4

SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cnn(Cc2ccc(CCC(O)=O)cc2)c1

InChI Key InChIKey=PMEAVLJPQNCBGW-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17187   

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

LigandPNGBDBM17187(3-(4-{[4-(4-{[(2-methylphenyl)carbamoyl]amino}phen...)
Affinity DataKi: >1.00E+3nM ΔG°: >-8.10kcal/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
In DepthDetails ArticlePubMed