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PubChem AID 2682

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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))
BDBM46247
PNG
(2-[4-[(E)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-y...)
Show SMILES OC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)/b27-13+
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n/an/a 249n/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))
BDBM46237
PNG
(4-[3-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1OC
Show InChI InChI=1S/C22H20N2O6S2/c1-29-16-8-3-13(11-17(16)30-2)12-18-20(26)24(22(31)32-18)10-9-19(25)23-15-6-4-14(5-7-15)21(27)28/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,27,28)/b18-12-
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n/an/a 1.38E+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 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))
BDBM54770
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxy-3-ethoxy-phenyl]-2...)
Show SMILES CCOc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(Br)cc1
Show InChI InChI=1S/C26H21BrN2O5/c1-2-33-24-13-18(8-11-23(24)34-16-17-6-9-21(27)10-7-17)12-20(15-28)25(30)29-22-5-3-4-19(14-22)26(31)32/h3-14H,2,16H2,1H3,(H,29,30)(H,31,32)/b20-12+
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n/an/a 1.86E+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/Q2B56H6M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46246
PNG
(4-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10-
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n/an/a 3.10E+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))
BDBM46245
PNG
(4-keto-5-methyl-2-[(E)-2-(4-methyl-3-nitro-phenyl)...)
Show SMILES Cc1c(sc2nc(C=Cc3ccc(C)c(c3)[N+]([O-])=O)[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C17H13N3O5S/c1-8-3-4-10(7-11(8)20(24)25)5-6-12-18-15(21)13-9(2)14(17(22)23)26-16(13)19-12/h3-7H,1-2H3,(H,22,23)(H,18,19,21)
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n/an/a 3.17E+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))
BDBM65971
PNG
(3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17BrN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 3.50E+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))
BDBM65974
PNG
(3-[(5E)-5-[4-(4-chlorobenzyl)oxy-3-methoxy-benzyli...)
Show SMILES COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H18ClNO5S2/c1-31-21-11-16(7-10-20(21)32-14-15-5-8-18(26)9-6-15)12-22-23(28)27(25(33)34-22)19-4-2-3-17(13-19)24(29)30/h2-13H,14H2,1H3,(H,29,30)/b22-12+
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n/an/a 3.68E+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))
BDBM65961
PNG
(2-[2-[(E)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-y...)
Show SMILES OC(=O)COc1ccccc1\C=N\NC(=O)c1ccc(cc1)-c1csc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-9-11-20(12-10-19)28-25-29-21(15-35-25)16-5-7-17(8-6-16)24(33)30-27-13-18-3-1-2-4-22(18)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)/b27-13+
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n/an/a 4.10E+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))
BDBM48802
PNG
(2-[2-ethoxy-4-[[[4-[2-(4-methylanilino)-1,3-thiazo...)
Show SMILES CCOc1cc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(C)cc3)n2)ccc1OCC(O)=O
Show InChI InChI=1S/C28H26N4O5S/c1-3-36-25-14-19(6-13-24(25)37-16-26(33)34)15-29-32-27(35)21-9-7-20(8-10-21)23-17-38-28(31-23)30-22-11-4-18(2)5-12-22/h4-15,17H,3,16H2,1-2H3,(H,30,31)(H,32,35)(H,33,34)
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n/an/a 4.42E+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))
BDBM65972
PNG
(3-[[(E)-2-cyano-3-[4-(4-fluorobenzyl)oxyphenyl]acr...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(F)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17FN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 5.52E+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))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 6.54E+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))
BDBM61243
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H19ClN2O5/c1-32-23-12-17(7-10-22(23)33-15-16-5-8-20(26)9-6-16)11-19(14-27)24(29)28-21-4-2-3-18(13-21)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)/b19-11+
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n/an/a 6.89E+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))
BDBM46240
PNG
(4-[(E)-2-[3-bromanyl-4-[(4-fluorophenyl)methoxy]ph...)
Show SMILES OC(=O)c1ccc(cc1)C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)\C#N
Show InChI InChI=1S/C23H15BrFNO3/c24-21-12-16(3-10-22(21)29-14-15-1-8-20(25)9-2-15)11-19(13-26)17-4-6-18(7-5-17)23(27)28/h1-12H,14H2,(H,27,28)/b19-11-
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n/an/a 1.08E+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, 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))
BDBM65975
PNG
(3-[[4-[(E)-[3-(3-carboxyphenyl)-4-keto-2-thioxo-th...)
Show SMILES COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)cc(Cl)c1OCc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H18ClNO7S2/c1-34-20-10-15(9-19(27)22(20)35-13-14-4-2-5-16(8-14)24(30)31)11-21-23(29)28(26(36)37-21)18-7-3-6-17(12-18)25(32)33/h2-12H,13H2,1H3,(H,30,31)(H,32,33)/b21-11+
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n/an/a 1.22E+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, 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))
BDBM65973
PNG
(3-[[(E)-2-cyano-3-[3-methoxy-4-(4-methylbenzyl)oxy...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(C)cc1
Show InChI InChI=1S/C26H22N2O5/c1-17-6-8-18(9-7-17)16-33-23-11-10-19(13-24(23)32-2)12-21(15-27)25(29)28-22-5-3-4-20(14-22)26(30)31/h3-14H,16H2,1-2H3,(H,28,29)(H,30,31)/b21-12+
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n/an/a 2.21E+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, 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))
BDBM46242
PNG
(4-[[4-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]-2-me...)
Show SMILES COc1cc(\C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H18FNO4/c1-29-23-13-17(12-20(14-26)18-7-9-21(25)10-8-18)4-11-22(23)30-15-16-2-5-19(6-3-16)24(27)28/h2-13H,15H2,1H3,(H,27,28)/b20-12+
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n/an/a 3.39E+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, 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))
BDBM46243
PNG
(4-[[2-chloranyl-4-[(E)-2-cyano-2-(3-fluorophenyl)e...)
Show SMILES CCOc1cc(\C=C(\C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19ClFNO4/c1-2-31-23-12-17(10-20(14-28)19-4-3-5-21(27)13-19)11-22(26)24(23)32-15-16-6-8-18(9-7-16)25(29)30/h3-13H,2,15H2,1H3,(H,29,30)/b20-10-
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n/an/a 3.61E+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, 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))
BDBM46236
PNG
(4-[8-[(3-chloranyl-2-methyl-phenyl)sulfamoyl]-3a,4...)
Show SMILES Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H23ClN2O4S/c1-15-22(27)6-3-7-23(15)29-34(32,33)18-12-13-24-21(14-18)19-4-2-5-20(19)25(28-24)16-8-10-17(11-9-16)26(30)31/h2-4,6-14,19-20,25,28-29H,5H2,1H3,(H,30,31)
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n/an/a 4.50E+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, 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))
BDBM65966
PNG
(2-[4-[(Z)-(2-amino-4-keto-2-thiazolin-5-ylidene)me...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C12H10N2O4S/c13-12-14-11(17)9(19-12)5-7-1-3-8(4-2-7)18-6-10(15)16/h1-5H,6H2,(H,15,16)(H2,13,14,17)
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n/an/a 5.50E+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, 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))
BDBM65967
PNG
(2-[(2Z)-3-keto-2-(2-thenylidene)coumaran-6-yl]oxya...)
Show SMILES OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1cccs1
Show InChI InChI=1S/C15H10O5S/c16-14(17)8-19-9-3-4-11-12(6-9)20-13(15(11)18)7-10-2-1-5-21-10/h1-7H,8H2,(H,16,17)/b13-7-
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n/an/a 8.12E+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, 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))
BDBM46239
PNG
(4-[[4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]pheno...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2)cc1
Show InChI InChI=1S/C23H16FNO3/c24-21-3-1-2-19(13-21)20(14-25)12-16-6-10-22(11-7-16)28-15-17-4-8-18(9-5-17)23(26)27/h1-13H,15H2,(H,26,27)/b20-12-
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n/an/a 8.67E+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, 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))
BDBM46264
PNG
(3-[2-azaspiro[5.5]undecan-2-yl-(1-cyclopentyl-1,2,...)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C27H36N6O/c1-19-10-11-23-20(16-19)17-22(26(34)28-23)24(25-29-30-31-33(25)21-8-3-4-9-21)32-15-7-14-27(18-32)12-5-2-6-13-27/h10-11,16-17,21,24H,2-9,12-15,18H2,1H3,(H,28,34)
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n/an/a>1.00E+5n/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))
BDBM65968
PNG
(2-[4-[(1Z)-1-(benzoylhydrazinylidene)ethyl]phenoxy...)
Show SMILES CC(=NNC(=O)c1ccccc1)c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C17H16N2O4/c1-12(18-19-17(22)14-5-3-2-4-6-14)13-7-9-15(10-8-13)23-11-16(20)21/h2-10H,11H2,1H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/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))
BDBM65962
PNG
(4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N'-[(4-ox...)
Show SMILES Oc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C23H17ClN4O2S/c24-18-7-9-19(10-8-18)26-23-27-21(14-31-23)16-3-5-17(6-4-16)22(30)28-25-13-15-1-11-20(29)12-2-15/h1-14,29H,(H,26,27)(H,28,30)
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n/an/a>1.00E+5n/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))
BDBM65963
PNG
(MLS-0435413.0001 | N-[(E)-(3,4-diethoxybenzylidene...)
Show SMILES CCOc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(C)cc3)n2)cc1OCC
Show InChI InChI=1S/C28H28N4O3S/c1-4-34-25-15-8-20(16-26(25)35-5-2)17-29-32-27(33)22-11-9-21(10-12-22)24-18-36-28(31-24)30-23-13-6-19(3)7-14-23/h6-18H,4-5H2,1-3H3,(H,30,31)(H,32,33)/b29-17+
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n/an/a>1.00E+5n/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))
BDBM65965
PNG
(2-[4-[2-(4-chloranylphenoxy)ethanoylamino]phenoxy]...)
Show SMILES OC(=O)COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H14ClNO5/c17-11-1-5-13(6-2-11)22-9-15(19)18-12-3-7-14(8-4-12)23-10-16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)
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n/an/a>1.00E+5n/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))
BDBM65964
PNG
(2-[4-(2-furoylamino)phenoxy]acetic acid | 2-[4-(fu...)
Show SMILES OC(=O)COc1ccc(NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C13H11NO5/c15-12(16)8-19-10-5-3-9(4-6-10)14-13(17)11-2-1-7-18-11/h1-7H,8H2,(H,14,17)(H,15,16)
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n/an/a>1.00E+5n/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))
BDBM46238
PNG
(3-[[2-chloranyl-4-[(E)-2-cyano-2-(3-fluorophenyl)e...)
Show SMILES OC(=O)c1cccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Cl)c1
Show InChI InChI=1S/C23H15ClFNO3/c24-21-11-15(9-19(13-26)17-4-2-6-20(25)12-17)7-8-22(21)29-14-16-3-1-5-18(10-16)23(27)28/h1-12H,14H2,(H,27,28)/b19-9-
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n/an/a>1.00E+5n/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))
BDBM65970
PNG
(2-[4-[[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydr...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H21N3O7S/c1-32-21-8-3-2-7-20(21)26-34(30,31)19-6-4-5-17(13-19)23(29)25-24-14-16-9-11-18(12-10-16)33-15-22(27)28/h2-14,26H,15H2,1H3,(H,25,29)(H,27,28)
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n/an/a>1.00E+5n/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))
BDBM65969
PNG
(2-(4-anilinophenoxy)acetic acid | 2-(4-phenylazany...)
Show SMILES OC(=O)COc1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C14H13NO3/c16-14(17)10-18-13-8-6-12(7-9-13)15-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
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n/an/a>1.00E+5n/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))
BDBM54792
PNG
(2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...)
Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N
Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)
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n/an/a>1.00E+5n/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))
BDBM46241
PNG
(4-[[3-(4-fluorophenyl)-2-keto-chromen-7-yl]oxymeth...)
Show SMILES COC(=O)c1ccc(COc2ccc3cc(-c4ccc(F)cc4)c(=O)oc3c2)cc1
Show InChI InChI=1S/C24H17FO5/c1-28-23(26)17-4-2-15(3-5-17)14-29-20-11-8-18-12-21(24(27)30-22(18)13-20)16-6-9-19(25)10-7-16/h2-13H,14H2,1H3
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n/an/a>1.00E+5n/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))
BDBM63615
PNG
(2-[4-[[(2-bromobenzoyl)hydrazinylidene]methyl]phen...)
Show SMILES OC(=O)COc1ccc(C=NNC(=O)c2ccccc2Br)cc1
Show InChI InChI=1S/C16H13BrN2O4/c17-14-4-2-1-3-13(14)16(22)19-18-9-11-5-7-12(8-6-11)23-10-15(20)21/h1-9H,10H2,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/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
* indicates data uncertainty>20%