BDBM50105397 (S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-azetidine-2-carbonyl]-amino}-3-(2',6'-dimethoxy-biphenyl-4-yl)-propionic acid::CHEMBL76119

SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(O)=O)cc1

InChI Key InChIKey=PALKXFSSVDMBNG-VXKWHMMOSA-N

Data  4 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 4 hits for monomerid = 50105397   

TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105397((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-azeti...)
Affinity DataIC50:  11nMAssay Description:Inhibitory activity of compound against alpha4-beta7 integrin using MAdCAM-Ig ligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
University Of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50105397((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-azeti...)
Affinity DataIC50:  0.0800nMAssay Description:Displacement of 125I-VCAM-Ig from VLA4 in human Jurkat cells incubated for 30 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105397((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-azeti...)
Affinity DataIC50:  11nMAssay Description:Inhibition of [125I]MAdCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
University Of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50105397((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-azeti...)
Affinity DataIC50:  0.0800nMAssay Description:Antagonistic activity against VLA-4 integrin of human jurkat cells using [125I]VCAM-Ig as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed