BDBM13814 ({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-en-1-yl]phenyl}difluoromethyl)phosphonic acid::benzotriazole phenyldifluoromethylphosphonic acid compound 1

SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12

InChI Key InChIKey=GWWTUJWRRCTCSI-JXMROGBWSA-N

Data  10 IC50

PDB links: 2 PDB IDs match 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 10 hits for monomerid = 13814   

TargetTyrosine-protein phosphatase non-receptor type 1 [1-298](Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research

LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Affinity DataIC50:  39nMpH: 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
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research

LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Affinity DataIC50:  87nMpH: 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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1 [L119V](Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research

LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Affinity DataIC50:  142nMpH: 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
TargetTyrosine-protein phosphatase non-receptor type 2 [V121L](Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research

LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Affinity DataIC50:  24nMpH: 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
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research

LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Affinity DataIC50:  87nMAssay Description:Inhibition of human TCPTP (1 to 296 residues) catalytic domain expressed in Escherichia coli BL21 cells using fluorescein diphosphate as substrate by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1 [M114V](Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research

LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Affinity DataIC50:  45nMpH: 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
TargetTyrosine-protein phosphatase non-receptor type 1 [V113L,M114V](Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research

LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Affinity DataIC50:  29nMpH: 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
TargetTyrosine-protein phosphatase non-receptor type 1 [G117E](Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research

LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Affinity DataIC50:  32nMpH: 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
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Affinity DataIC50:  39nMAssay Description:Inhibition of flag-tagged human PTP1B (1 to 298 residues) catalytic domain expressed in Escherichia coli BL21 cells using fluorescein diphosphate as ...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1 [V113I](Homo sapiens (Human))
Merck Frosst Center For Therapeutic Research

LigandPNGBDBM13814(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)
Affinity DataIC50:  39nMpH: 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