BDBM50309095 2-(1-(3-cyanophenylsulfonyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)propanoic acid::CHEMBL589558

SMILES CC1CC(C)CN(C1)C1CC(N(C1)S(=O)(=O)c1cccc(c1)C#N)C(=O)NC(Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O

InChI Key InChIKey=KSXOGEYJDPMNEE-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309095   

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

Curated by ChEMBL
LigandPNGBDBM50309095(2-(1-(3-cyanophenylsulfonyl)-4-(3,5-dimethylpiperi...)
Affinity DataIC50:  0.140nMAssay 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
LigandPNGBDBM50309095(2-(1-(3-cyanophenylsulfonyl)-4-(3,5-dimethylpiperi...)
Affinity DataIC50:  0.140nMAssay Description:Inhibition of human VLA4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed