BDBM50116297 (S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((S)-1-isoquinolin-4-yl-pyrrolidine-2-carbonyl)-amino]-propionic acid::CHEMBL71705

SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2c2cncc3ccccc23)C(O)=O)cc1

InChI Key InChIKey=VVWWYYCPGHVEKY-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 = 50116297   

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

Curated by ChEMBL
LigandPNGBDBM50116297((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((S)-1-is...)
Affinity DataIC50: 1.10nMAssay 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
LigandPNGBDBM50116297((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((S)-1-is...)
Affinity DataIC50: 45nMAssay 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