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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 22' and Ligand = 'BDBM46235'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B56H6M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
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n/an/a 2.61E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
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n/an/a 2.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2BZ64GK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
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n/an/a 3.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26H4FVR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
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n/an/a 4.86E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M9073J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
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n/an/a 7.71E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44JJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
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n/an/a 1.26E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2VM49Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
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n/an/a 1.57E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
PDB

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n/an/a 1.88E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2VX0DZ6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
PDB

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n/an/a 2.05E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QZ28FP
More data for this
Ligand-Target Pair