BDBM50428937 CHEMBL2332747

SMILES CCn1c(C)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c(=O)n(CC)c1=O

InChI Key InChIKey=KQFDKGNSBOLNCZ-IBGZPJMESA-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 = 50428937   

TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50428937(CHEMBL2332747)
Affinity DataIC50:  63nMAssay Description:Inhibition of human VCAM1 binding to integrin alpha4beta1 receptor in human Ramos cells labeled with Calcein AMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50428937(CHEMBL2332747)
Affinity DataIC50:  124nMAssay Description:Inhibition of human MAdCAM1 binding to integrin alpha4beta7 receptor in human RPMI 8866 cells labeled with Calcein AMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed