BDBM50108329 (S)-3-(4-tert-Butoxy-phenyl)-2-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-propionic acid::CHEMBL418439

SMILES CC(C)(C)Oc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(O)=O)cc1

InChI Key InChIKey=CSMQOKNTHTXJFG-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50108329   

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

Curated by ChEMBL
LigandPNGBDBM50108329((S)-3-(4-tert-Butoxy-phenyl)-2-{[(S)-1-(3,5-dichlo...)
Affinity DataIC50: 646nMAssay Description:Inhibition of MadCAM-Ig binding to alpha-4 beta-7 integrinMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50108329((S)-3-(4-tert-Butoxy-phenyl)-2-{[(S)-1-(3,5-dichlo...)
Affinity DataIC50: 0.270nMAssay Description:Inhibitory activity against very late antigen-4 (VLA-4) using VCAM-Ig ligand.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50108329((S)-3-(4-tert-Butoxy-phenyl)-2-{[(S)-1-(3,5-dichlo...)
Affinity DataIC50: 0.270nMAssay Description:Alpha4-beta1 integrin binding affinity was assessed by measuring the reduction in binding of [125I]VCAM-Ig to a suspension of Jurkat cells (a human T...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIntegrin alpha-4/beta-7(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50108329((S)-3-(4-tert-Butoxy-phenyl)-2-{[(S)-1-(3,5-dichlo...)
Affinity DataIC50: 647nMAssay Description:Inhibition of [125I]VCAM-Ig binding to Alpha4-beta7 integrin of RPMI-8866 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed