BDBM50128319 (S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-3-{4-[(3,5-dichloro-pyridine-4-carbonyl)-amino]-phenyl}-propionic acid::(S)-3-(4-(3,5-dichloroisonicotinamido)phenyl)-2-((S)-1-(3,5-dichlorophenylsulfonyl)pyrrolidine-2-carboxamido)propanoic acid::CHEMBL296804

SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1

InChI Key InChIKey=GLJNHEQKGADNBQ-VXKWHMMOSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50128319   

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

Curated by ChEMBL
LigandPNGBDBM50128319((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrro...)
Affinity DataIC50:  1.5nMAssay Description:Displacement of [125I]-(S)-2-((2S,4R)-4-(azetidin-1-yl)-1-(3-iodophenylsulfonyl)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50128319((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrro...)
Affinity DataIC50:  0.0700nMAssay Description:Displacement of [125I]-(S)-2-((2S,4R)-4-(azetidin-1-yl)-1-(3-iodophenylsulfonyl)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50128319((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrro...)
Affinity DataIC50:  0.100nMAssay Description:Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+]More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50128319((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrro...)
Affinity DataIC50:  0.0700nMAssay Description:Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of Mn2+More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50128319((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrro...)
Affinity DataIC50:  0.0700nMAssay Description:Inhibition of VLA-4 binding in Jurkat cells in the presence of Mg2+More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50128319((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrro...)
Affinity DataIC50:  0.0300nMAssay Description:Inhibition of VLA-4 receptor of Jurkat cells in BURJ assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed