BDBM50117056 (S)-2-(2-Bromo-6-methyl-benzoylamino)-3-[4-(2,6-dichloro-benzoylamino)-phenyl]-propionic acid::CHEMBL309222

SMILES Cc1cccc(Br)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O

InChI Key InChIKey=PBBGMISRCMPMRC-IBGZPJMESA-N

Data  4 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 4 hits for monomerid = 50117056   

TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Ian Wark Laboratories

Curated by ChEMBL
LigandPNGBDBM50117056((S)-2-(2-Bromo-6-methyl-benzoylamino)-3-[4-(2,6-di...)
Affinity DataIC50:  17nMAssay Description:Antagonist activity at alpha4beta1 integrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Ian Wark Laboratories

Curated by ChEMBL
LigandPNGBDBM50117056((S)-2-(2-Bromo-6-methyl-benzoylamino)-3-[4-(2,6-di...)
Affinity DataIC50:  0.200nMAssay Description:Inhibitory binding concentration against VCAM/VLA-4 in ELISA.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Ian Wark Laboratories

Curated by ChEMBL
LigandPNGBDBM50117056((S)-2-(2-Bromo-6-methyl-benzoylamino)-3-[4-(2,6-di...)
Affinity DataIC50:  9nMAssay Description:Inhibitory binding concentration against VCAM/VLA-4 in Ramos.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Ian Wark Laboratories

Curated by ChEMBL
LigandPNGBDBM50117056((S)-2-(2-Bromo-6-methyl-benzoylamino)-3-[4-(2,6-di...)
Affinity DataIC50:  17nMAssay Description:Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed