BDBM50105372 (S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-methyl-azetidine-2-carbonyl]-amino}-3-(2',6'-dimethoxy-biphenyl-4-yl)-propionic acid::CHEMBL309823

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

InChI Key InChIKey=QYLJBVNSXNPXCO-DWACAAAGSA-N

Data  6 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 6 hits for monomerid = 50105372   

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

Curated by ChEMBL
LigandPNGBDBM50105372((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...)
Affinity DataIC50:  14nMAssay Description:Inhibition of Mn2+ activated state of alpha4-beta7 integrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105372((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...)
Affinity DataIC50:  0.270nMAssay Description:Inhibition of [Ca2+]/Mg2+ unactivated state of very late antigen 4 (VLA-4)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105372((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...)
Affinity DataIC50:  0.0700nMAssay 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
TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105372((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...)
Affinity DataIC50:  14nMAssay 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-7(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105372((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...)
Affinity DataIC50:  14nMAssay 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))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105372((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...)
Affinity DataIC50:  0.0700nMAssay Description:Inhibition of Mn2+ activated state of very late antigen 4 (VLA-4)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed