BDBM17188 3-(4-{[3-(3-methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)-1H-pyrazol-1-yl]methyl}phenyl)propanoic acid::C-ring heterocyclic urea, 5

SMILES COc1cc(ccc1NC(=O)Nc1ccccc1C)-c1ccn(Cc2ccc(CCC(O)=O)cc2)n1

InChI Key InChIKey=DNCZRXJEVONPQW-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17188   

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

LigandPNGBDBM17188(3-(4-{[3-(3-methoxy-4-{[(2-methylphenyl)carbamoyl]...)
Affinity DataKi:  25.1nM ΔG°:  -10.3kcal/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
In DepthDetails ArticlePubMed