BDBM13597 ({4-[(4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-1,2,3-benzotriazol-1-yl)-5-phenylpent-4-en-1-yl]phenyl}difluoromethyl)phosphonic acid::Aryldifluoromethyl-Phosphonic Acid Inhibitor 4::[[4-[(E,2R)-2-benzothiazol-2-yl-2-benzotriazol-1-yl-5-phenyl-pent-4-enyl]phenyl]-difluoro-methyl]phosphonic acid

SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2nc3ccccc3s2)n2nnc3ccccc23)cc1

InChI Key InChIKey=GBLDYRVJENYQNH-DHZHZOJOSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

  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 1 hit for monomerid = 13597   

TargetTyrosine-protein phosphatase non-receptor type 1 [1-298](Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM13597(({4-[(4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-1,2,3-be...)
Affinity DataIC50:  23nMpH: 6.3 T: 2°CAssay Description:Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...More data for this Ligand-Target Pair