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BDBM26613 (2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-enoic acid::Compound 13778

SMILES: OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O

InChI Key: InChIKey=ZTQRMGDLUGQTTF-MNPOOLNOSA-L

Data: 2 KI  11 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 26613   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
phosphatase Cdc25


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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72n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Cdc25a catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrat...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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369n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Cdc25b catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrat...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VHR using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition b...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (PTPβ)


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 770n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of PTP-beta receptor using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of MKP3 using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 7.93E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of PTP1B using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
Phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 1.62E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of PTPMT1 using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (PTPβ)


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 100n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of PTP-beta receptor using para-nitrophenol as substrate by colorimetric analysis


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 110n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Cdc25a catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrat...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 600n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Cdc25b catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrat...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Cdc25c catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrat...


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 200n/an/an/an/a7.522



The Johns Hopkins University



Assay Description
The screening assay was performed using 384-well microtiter plate first spotted with test compounds. Then Ape1 in reaction buffer was added to each w...


Mol Pharmacol 73: 669-77 (2008)


Article DOI: 10.1124/mol.107.042622
BindingDB Entry DOI: 10.7270/Q2WS8RJX
More data for this
Ligand-Target Pair
Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN


(Homo sapiens (Human))
BDBM26613
PNG
((2E)-3-{3-[dihydroxy(oxo)--stibanyl]phenyl}prop-2-...)
Show SMILES OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
Show InChI InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;
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n/an/a 1.00E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human PTEN using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry


Bioorg Med Chem 20: 4371-6 (2012)


Article DOI: 10.1016/j.bmc.2012.05.040
BindingDB Entry DOI: 10.7270/Q2RB75N4
More data for this
Ligand-Target Pair