BDBM17899 4-{[(2S,4S)-4-fluoro-1-[2-(3-methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]pyrrolidin-2-yl]methoxy}benzoic acid::benzoic acid derivative, 2

SMILES COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1C

InChI Key InChIKey=HIRZLJKWWPKJHG-VXKWHMMOSA-N

Data  1 IC50

  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 = 17899   

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

LigandPNGBDBM17899(4-{[(2S,4S)-4-fluoro-1-[2-(3-methoxy-4-{[(2-methyl...)
Affinity DataIC50:  1.20nMpH: 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 DepthDetails ArticlePubMed