BDBM50116287 (S)-2-{[(S)-1-(2-Cyano-phenyl)-pyrrolidine-2-carbonyl]-amino}-3-(2',6'-dimethoxy-biphenyl-4-yl)-propionic acid::CHEMBL307096

SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2c2ccccc2C#N)C(O)=O)cc1

InChI Key InChIKey=UTRBTIFHRKMFMU-UPVQGACJSA-N

Data  2 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 2 hits for monomerid = 50116287   

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

Curated by ChEMBL
LigandPNGBDBM50116287((S)-2-{[(S)-1-(2-Cyano-phenyl)-pyrrolidine-2-carbo...)
Affinity DataIC50:  0.370nMAssay Description:Inhibition of [125I]VCAM-Ig binding to human integrin alpha4-beta1 (VLA-4) of Jurkat cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50116287((S)-2-{[(S)-1-(2-Cyano-phenyl)-pyrrolidine-2-carbo...)
Affinity DataIC50:  3.5nMAssay Description:Inhibition of [125I]MAdCAM-Ig binding to human integrin alpha4-beta7 of RPMI-8866 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed