BDBM50116293 (S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-1-(3-methoxy-phenyl)-pyrrolidine-2-carbonyl]-amino}-propionic acid::CHEMBL308458

SMILES COc1cccc(c1)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1c(OC)cccc1OC)C(O)=O

InChI Key InChIKey=GMXTVNCMABOSEI-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50116293   

TargetIntegrin alpha-4/beta-1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116293((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-1-(3...)
Affinity DataIC50: 0.410nMAssay Description:Inhibition of [125I]VCAM-Ig binding to human integrin alpha4-beta1 (VLA-4) of Jurkat cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-7(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116293((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-1-(3...)
Affinity DataIC50: 5.80nMAssay Description:Inhibition of [125I]MAdCAM-Ig binding to human integrin alpha4-beta7 of RPMI-8866 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed