BDBM50258533 CHEMBL444822::N-{N-[(3,5-Dichlorophenyl)sulfonyl]-4(S)-azetidinyl-(L)-prolyl}-4-[(3',5'-dichloroisonicotinoyl)amino]-(L)-phenylalanine

SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@@H](CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCC1

InChI Key InChIKey=DWWRBBBYJCGWGH-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50258533   

TargetIntegrin alpha-4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50258533(N-{N-[(3,5-Dichlorophenyl)sulfonyl]-4(S)-azetidiny...)
Affinity DataIC50: 0.200nMAssay Description:Displacement of [125I]-(S)-2-((2S,4R)-4-(azetidin-1-yl)-1-(3-iodophenylsulfonyl)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed