BDBM50309094 (S)-2-((2S,4R)-1-(3-cyanophenylsulfonyl)-4-(4-methylpiperidin-1-yl)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)propanoic acid::CHEMBL601896

SMILES CC1CCN(CC1)[C@@H]1C[C@H](N(C1)S(=O)(=O)c1cccc(c1)C#N)C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O

InChI Key InChIKey=BOLRFCDFAQTBDV-MHZHKKNFSA-N

Data  2 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 2 hits for monomerid = 50309094   

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

Curated by ChEMBL
LigandPNGBDBM50309094((S)-2-((2S,4R)-1-(3-cyanophenylsulfonyl)-4-(4-meth...)
Affinity DataIC50:  0.160nMAssay Description:Inhibition of human VLA4 in presence of 90% human plasmaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309094((S)-2-((2S,4R)-1-(3-cyanophenylsulfonyl)-4-(4-meth...)
Affinity DataIC50:  0.160nMAssay Description:Inhibition of human VLA4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed