BDBM17916 4-{[(2S,4S)-1-[2-(3-bromo-4-{[(2-bromophenyl)carbamoyl]amino}phenyl)acetyl]-4-fluoropyrrolidin-2-yl]methoxy}benzoic acid::benzoic acid derivative, 12q

SMILES OC(=O)c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3Br)c(Br)c2)cc1

InChI Key InChIKey=QEPXZBPJIPFLAZ-UHFFFAOYSA-N

Data  1 IC50

  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 = 17916   

TargetIntegrin alpha-4/beta-1 [T112H](Human)
Daiichi Pharmaceutical

LigandPNGBDBM17916(4-{[(2S,4S)-1-[2-(3-bromo-4-{[(2-bromophenyl)carba...)
Affinity DataIC50: 1.40nMpH: 7.5 T: 2°CAssay Description:The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2007
Entry Details Article
PubMed