BDBM50428926 CHEMBL2332742

SMILES CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F

InChI Key InChIKey=IBAZQIKVHCLTHH-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50428926   

TargetIntegrin alpha-4/beta-7(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50428926(CHEMBL2332742)
Affinity DataIC50: 42nMAssay 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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIntegrin alpha-4/beta-1(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50428926(CHEMBL2332742)
Affinity DataIC50: 32nMAssay 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 Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)