BDBM50114294 (S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(4,6-dimethoxy-[1,3,5]triazin-2-ylamino)-propionic acid::CHEMBL289515

SMILES COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(O)=O)nc(OC)n1

InChI Key InChIKey=GRRKLBLJPILSFT-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50114294   

TargetIntegrin alpha-4/beta-1(Human)
Celltech R&D

Curated by ChEMBL
LigandPNGBDBM50114294((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(4,...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of VLA-4 expressed in Jurkat cell line, in a cell-based adhesion assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Celltech R&D

Curated by ChEMBL
LigandPNGBDBM50114294((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(4,...)
Affinity DataIC50: 30nMAssay Description:Inhibition of VLA-4 from HL60 lysate in a protein-based ligand binding assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Celltech R&D

Curated by ChEMBL
LigandPNGBDBM50114294((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(4,...)
Affinity DataIC50: 4.00E+3nMAssay Description:Antagonist activity at alpha4beta1 integrinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2013
Entry Details Article
PubMed