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PubChem AID 2070

Compile data set for download or QSAR
Found 32 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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46223
PNG
((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...)
Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1
Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3
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n/an/a 127n/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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46133
PNG
((7Z)-3-bromanyl-7-[(2-chlorophenyl)methylidene]-[1...)
Show SMILES Clc1ccccc1\C=c1/sc2nc3cc(Br)cnc3n2c1=O
Show InChI InChI=1S/C15H7BrClN3OS/c16-9-6-11-13(18-7-9)20-14(21)12(22-15(20)19-11)5-8-3-1-2-4-10(8)17/h1-7H/b12-5-
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n/an/a 181n/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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46286
PNG
((4E)-4-[[[4-fluoranyl-3-(trifluoromethyl)phenyl]me...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F4NO2S/c1-23-14-7-10(3-5-13(14)22)15(24)21-8-9-2-4-12(17)11(6-9)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,24)
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n/an/a 220n/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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM31759
PNG
(2-[5-[(Z)-(3-bromanyl-8-oxidanylidene-[1,3]thiazol...)
Show SMILES OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
Show InChI InChI=1S/C20H10BrN3O4S/c21-10-7-14-17(22-9-10)24-18(25)16(29-20(24)23-14)8-11-5-6-15(28-11)12-3-1-2-4-13(12)19(26)27/h1-9H,(H,26,27)/b16-8-
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n/an/a 308n/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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM31735
PNG
((7Z)-3-bromanyl-7-(furan-2-ylmethylidene)-[1,3]thi...)
Show SMILES Brc1cnc2c(c1)nc1s\c(=C/c3ccco3)c(=O)n21
Show InChI InChI=1S/C13H6BrN3O2S/c14-7-4-9-11(15-6-7)17-12(18)10(20-13(17)16-9)5-8-2-1-3-19-8/h1-6H/b10-5-
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n/an/a 345n/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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46282
PNG
((4E)-4-[[(2,4-dimethylbenzyl)amino]-mercapto-methy...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccc(C)cc1C
Show InChI InChI=1S/C17H19NO2S/c1-11-4-5-14(12(2)8-11)10-18-17(21)13-6-7-15(19)16(9-13)20-3/h4-9,19H,10H2,1-3H3,(H,18,21)
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n/an/a 408n/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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 680n/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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46204
PNG
((4Z)-2-methoxy-4-[(4-methylpiperidin-1-yl)-sulfany...)
Show SMILES COc1cc(ccc1O)C(=S)N1CCC(C)CC1
Show InChI InChI=1S/C14H19NO2S/c1-10-5-7-15(8-6-10)14(18)11-3-4-12(16)13(9-11)17-2/h3-4,9-10,16H,5-8H2,1-2H3
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n/an/a 1.21E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46253
PNG
((4E)-4-[(cyclopentylamino)-mercapto-methylene]-2-m...)
Show SMILES COc1cc(ccc1O)C(=S)NC1CCCC1
Show InChI InChI=1S/C13H17NO2S/c1-16-12-8-9(6-7-11(12)15)13(17)14-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3,(H,14,17)
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n/an/a 1.39E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46252
PNG
((4E)-2-methoxy-4-[[(phenylmethyl)amino]-sulfanyl-m...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccccc1
Show InChI InChI=1S/C15H15NO2S/c1-18-14-9-12(7-8-13(14)17)15(19)16-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,16,19)
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n/an/a 1.43E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46250
PNG
((4E)-2-methoxy-4-[(pentan-3-ylamino)-sulfanyl-meth...)
Show SMILES CCC(CC)NC(=S)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C13H19NO2S/c1-4-10(5-2)14-13(17)9-6-7-11(15)12(8-9)16-3/h6-8,10,15H,4-5H2,1-3H3,(H,14,17)
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n/an/a 1.71E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46215
PNG
(2-[4-[[5-(4-chlorophenyl)-6-isopropoxycarbonyl-3-k...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)
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n/an/a 1.93E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46213
PNG
(2-[4-[[6-carbethoxy-3-keto-7-methyl-5-[4-(methylth...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1
Show InChI InChI=1S/C26H24N2O6S2/c1-4-33-25(32)22-15(2)27-26-28(23(22)17-7-11-19(35-3)12-8-17)24(31)20(36-26)13-16-5-9-18(10-6-16)34-14-21(29)30/h5-13,23H,4,14H2,1-3H3,(H,29,30)
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n/an/a 2.01E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46214
PNG
(2-[4-[[5-(4-chlorophenyl)-6-ethoxycarbonyl-7-methy...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)
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n/an/a 2.08E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46137
PNG
((7Z)-3-bromo-7-[[5-(3,5-dichlorophenyl)-2-furanyl]...)
Show SMILES Clc1cc(Cl)cc(c1)-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
Show InChI InChI=1S/C19H8BrCl2N3O2S/c20-10-5-14-17(23-8-10)25-18(26)16(28-19(25)24-14)7-13-1-2-15(27-13)9-3-11(21)6-12(22)4-9/h1-8H/b16-7-
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n/an/a 2.23E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46283
PNG
((4E)-4-[[(4-fluoranyl-3-methyl-phenyl)methylamino]...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccc(F)c(C)c1
Show InChI InChI=1S/C16H16FNO2S/c1-10-7-11(3-5-13(10)17)9-18-16(21)12-4-6-14(19)15(8-12)20-2/h3-8,19H,9H2,1-2H3,(H,18,21)
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n/an/a 2.33E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM31739
PNG
(2-[5-[(E)-(1-keto-6,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc2nc3s\c(=C\c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2cc1C
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-17-18(10-13(12)2)25-21(26)20(30-23(25)24-17)11-14-7-8-19(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b20-11+
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n/an/a 2.39E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46276
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[6-ethoxycarbonyl-5-(...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)c(=O)n2C1c1cccc(OC)c1
Show InChI InChI=1S/C26H22Cl2N2O7S/c1-4-36-25(34)21-13(2)29-26-30(22(21)15-6-5-7-16(11-15)35-3)24(33)19(38-26)10-14-8-17(27)23(18(28)9-14)37-12-20(31)32/h5-11,22H,4,12H2,1-3H3,(H,31,32)/b19-10-
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n/an/a 2.76E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM31738
PNG
(2-[5-[(Z)-(1-keto-5,6-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1ccc2c(nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n23)c1C
Show InChI InChI=1S/C23H16N2O4S/c1-12-7-9-17-20(13(12)2)24-23-25(17)21(26)19(30-23)11-14-8-10-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 2.94E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46284
PNG
((4E)-4-[[(4-chloranyl-3-methyl-phenyl)methylamino]...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccc(Cl)c(C)c1
Show InChI InChI=1S/C16H16ClNO2S/c1-10-7-11(3-5-13(10)17)9-18-16(21)12-4-6-14(19)15(8-12)20-2/h3-8,19H,9H2,1-2H3,(H,18,21)
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n/an/a 3.04E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46266
PNG
(2-[2-chloranyl-4-[(E)-[5-(2-chlorophenyl)-6-ethoxy...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C\c3cc(Cl)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl
Show InChI InChI=1S/C26H22Cl2N2O7S/c1-4-36-25(34)21-13(2)29-26-30(22(21)15-7-5-6-8-16(15)27)24(33)19(38-26)11-14-9-17(28)23(18(10-14)35-3)37-12-20(31)32/h5-11,22H,4,12H2,1-3H3,(H,31,32)/b19-11+
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n/an/a 3.07E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46249
PNG
((4E)-4-[(cyclohexylamino)-mercapto-methylene]-2-me...)
Show SMILES COc1cc(ccc1O)C(=S)NC1CCCCC1
Show InChI InChI=1S/C14H19NO2S/c1-17-13-9-10(7-8-12(13)16)14(18)15-11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,18)
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n/an/a 3.40E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM31736
PNG
((7Z)-3-bromanyl-7-[[5-(2-nitrophenyl)furan-2-yl]me...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
Show InChI InChI=1S/C19H9BrN4O4S/c20-10-7-13-17(21-9-10)23-18(25)16(29-19(23)22-13)8-11-5-6-15(28-11)12-3-1-2-4-14(12)24(26)27/h1-9H/b16-8-
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n/an/a 5.53E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46223
PNG
((4Z)-2-methoxy-4-[piperidin-1-yl(sulfanyl)methylid...)
Show SMILES COc1cc(ccc1O)C(=S)N1CCCCC1
Show InChI InChI=1S/C13H17NO2S/c1-16-12-9-10(5-6-11(12)15)13(17)14-7-3-2-4-8-14/h5-6,9,15H,2-4,7-8H2,1H3
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n/an/a 5.55E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46251
PNG
((4E)-4-[diethylamino(mercapto)methylene]-2-methoxy...)
Show SMILES CCN(CC)C(=S)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C12H17NO2S/c1-4-13(5-2)12(16)9-6-7-10(14)11(8-9)15-3/h6-8,14H,4-5H2,1-3H3
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n/an/a 5.76E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM31731
PNG
(4-[5-[(Z)-(1-ketothiazolo[3,2-a]benzimidazol-2-yli...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C21H12N2O4S/c24-19-18(28-21-22-15-3-1-2-4-16(15)23(19)21)11-14-9-10-17(27-14)12-5-7-13(8-6-12)20(25)26/h1-11H,(H,25,26)/b18-11-
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n/an/a 6.21E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46285
PNG
((4E)-4-[[(4-hydroxybenzyl)amino]-mercapto-methylen...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccc(O)cc1
Show InChI InChI=1S/C15H15NO3S/c1-19-14-8-11(4-7-13(14)18)15(20)16-9-10-2-5-12(17)6-3-10/h2-8,17-18H,9H2,1H3,(H,16,20)
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n/an/a 8.07E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46248
PNG
((4E)-4-[(tert-butylamino)-mercapto-methylene]-2-me...)
Show SMILES COc1cc(ccc1O)C(=S)NC(C)(C)C
Show InChI InChI=1S/C12H17NO2S/c1-12(2,3)13-11(16)8-5-6-9(14)10(7-8)15-4/h5-7,14H,1-4H3,(H,13,16)
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n/an/a 2.47E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM44530
PNG
(3-keto-7-phenyl-5-(2-thienyl)-2-(3,4,5-trimethoxyb...)
Show SMILES CCOC(=O)C1=C(N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1)c1ccccc1
Show InChI InChI=1S/C29H26N2O6S2/c1-5-37-28(33)23-24(18-10-7-6-8-11-18)30-29-31(25(23)21-12-9-13-38-21)27(32)22(39-29)16-17-14-19(34-2)26(36-4)20(15-17)35-3/h6-16,25H,5H2,1-4H3
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n/an/a 5.00E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46233
PNG
((4E)-4-[(4-ethyl-1-piperazinyl)-mercaptomethyliden...)
Show SMILES CCN1CCN(CC1)C(=S)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C14H20N2O2S/c1-3-15-6-8-16(9-7-15)14(19)11-4-5-12(17)13(10-11)18-2/h4-5,10,17H,3,6-9H2,1-2H3
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n/an/a 6.89E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46234
PNG
((4Z)-2-methoxy-4-[pyrrolidin-1-yl(sulfanyl)methyli...)
Show SMILES COc1cc(ccc1O)C(=S)N1CCCC1
Show InChI InChI=1S/C12H15NO2S/c1-15-11-8-9(4-5-10(11)14)12(16)13-6-2-3-7-13/h4-5,8,14H,2-3,6-7H2,1H3
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n/an/a 7.24E+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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46132
PNG
((7Z)-3-bromanyl-7-[(3-bromophenyl)methylidene]-[1,...)
Show SMILES Brc1cccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)c1
Show InChI InChI=1S/C15H7Br2N3OS/c16-9-3-1-2-8(4-9)5-12-14(21)20-13-11(19-15(20)22-12)6-10(17)7-18-13/h1-7H/b12-5-
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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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2WW7G20
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%