BDBM50309085 (S)-2-((2S,4R)-4-(azetidin-1-yl)-1-(3-cyanophenylsulfonyl)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)propanoic acid::CHEMBL569403

SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1cccc(c1)C#N)N1CCC1

InChI Key InChIKey=ZVYKWIXTSCOLQS-NYMACZPPSA-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 = 50309085   

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

Curated by ChEMBL
LigandPNGBDBM50309085((S)-2-((2S,4R)-4-(azetidin-1-yl)-1-(3-cyanophenyls...)
Affinity DataIC50:  0.340nMAssay Description:Inhibition of human VLA4 in presence of 90% human plasmaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309085((S)-2-((2S,4R)-4-(azetidin-1-yl)-1-(3-cyanophenyls...)
Affinity DataIC50:  56nMAssay Description:Receptor occupancy of VLA4 in whole blood washed with buffer containing non activating Ca2+ and Mg2+ at 37 degC after 3 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309085((S)-2-((2S,4R)-4-(azetidin-1-yl)-1-(3-cyanophenyls...)
Affinity DataIC50:  0.150nMAssay Description:Displacement of [35S]-labeled ligand from VLA4 in human Jurkat cells washed with buffer containing non activating Ca2+ and Mg2+ by competitive bindin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309085((S)-2-((2S,4R)-4-(azetidin-1-yl)-1-(3-cyanophenyls...)
Affinity DataIC50:  0.340nMAssay Description:Inhibition of human VLA4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed