BDBM50309088 (S)-2-((2S,4R)-4-(azepan-1-yl)-1-(3-cyanophenylsulfonyl)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)propanoic acid::CHEMBL601684

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)N1CCCCCC1

InChI Key InChIKey=ZIZMAANWJMCCKV-MHZHKKNFSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309088   

TargetIntegrin alpha-4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309088((S)-2-((2S,4R)-4-(azepan-1-yl)-1-(3-cyanophenylsul...)
Affinity DataIC50:  0.420nMAssay Description:Inhibition of human VLA4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309088((S)-2-((2S,4R)-4-(azepan-1-yl)-1-(3-cyanophenylsul...)
Affinity DataIC50:  0.420nMAssay Description:Inhibition of human VLA4 in presence of 90% human plasmaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed