BDBM50124252 2-{[4-((S)-Benzenesulfonyl)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-carbonyl]-amino}-3-(2'-methoxy-biphenyl-4-yl)-propionic acid::CHEMBL352299

SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(CCS(=O)(=O)CC2)S(=O)(=O)c2ccccc2)C(O)=O)cc1

InChI Key InChIKey=SQQCECFUGOZGKP-UHFFFAOYSA-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 = 50124252   

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

Curated by ChEMBL
LigandPNGBDBM50124252(2-{[4-((S)-Benzenesulfonyl)-1,1-dioxo-hexahydro-1l...)
Affinity DataIC50: 1.30nMAssay Description:Binding affinity towards VLA-4 (alpha4 beta-1) receptor in human Jurkat cells using [125I]VCAM-Ig as radioligandMore 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
LigandPNGBDBM50124252(2-{[4-((S)-Benzenesulfonyl)-1,1-dioxo-hexahydro-1l...)
Affinity DataIC50: 70nMAssay Description:Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed