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PubChem AID 1654

Compile data set for download or QSAR
Found 72 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))
BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
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n/an/a 980n/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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM50647
PNG
(2,3,4,5-tetrahydroxy-6-benzo[7]annulenone | 2,3,4,...)
Show SMILES Oc1cc2cccc(=O)c(O)c2c(O)c1O
Show InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
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n/an/a 980n/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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM35361
PNG
((5-oxidanidyl-4-thiophen-2-ylcarbonyl-1,2,5-oxadia...)
Show SMILES [O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1
Show InChI InChI=1S/C12H6N2O4S2/c15-11(7-3-1-5-19-7)9-10(14(17)18-13-9)12(16)8-4-2-6-20-8/h1-6H
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n/an/a 980n/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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 980n/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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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n/an/a 980n/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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM47669
PNG
(3-(2-{(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidi...)
Show SMILES OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H14ClN3O4/c22-14-6-8-15(9-7-14)25-19(26)18(23-21(25)29)12-17-5-2-10-24(17)16-4-1-3-13(11-16)20(27)28/h1-12H,(H,23,29)(H,27,28)
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n/an/a 980n/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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51764
PNG
(4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)...)
Show SMILES COC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(C#N)c1C
Show InChI InChI=1S/C24H17N3O3S/c1-14-18(13-25)23(31-21(14)24(29)30-2)27-22(28)17-12-20(15-8-4-3-5-9-15)26-19-11-7-6-10-16(17)19/h3-12H,1-2H3,(H,27,28)
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n/an/a 1.15E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51782
PNG
((5E)-5-(2-furanylmethylidene)-1-(2-methylphenyl)-2...)
Show SMILES Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C16H12N2O3S/c1-10-5-2-3-7-13(10)18-15(20)12(14(19)17-16(18)22)9-11-6-4-8-21-11/h2-9H,1H3,(H,17,19,22)
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n/an/a 1.23E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51771
PNG
(1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
Show InChI InChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-5-3-4-6-13-7/h3-6H,1-2H3
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n/an/a 1.23E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46229
PNG
(4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C16H15ClN2O3S2/c17-12-6-5-10(9-15(12)24(18,21)22)16(20)19-13-7-8-23-14-4-2-1-3-11(13)14/h1-6,9,13H,7-8H2,(H,19,20)(H2,18,21,22)
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n/an/a 1.23E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 1.23E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51779
PNG
((4E)-3,6-bis(bromanyl)-2-oxidanyl-4-[[(3-phenyl-5-...)
Show SMILES Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)c(Br)c1O
Show InChI InChI=1S/C15H10Br2N4O2S/c16-10-6-9(11(17)13(23)12(10)22)7-18-21-14(19-20-15(21)24)8-4-2-1-3-5-8/h1-7,22-23H,(H,20,24)
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n/an/a 1.23E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51770
PNG
((4-amino-3-methyl-5-thieno[2,3-c]isothiazolyl)-(4-...)
Show SMILES Cc1snc2sc(C(=O)c3ccc(F)cc3)c(N)c12
Show InChI InChI=1S/C13H9FN2OS2/c1-6-9-10(15)12(18-13(9)16-19-6)11(17)7-2-4-8(14)5-3-7/h2-5H,15H2,1H3
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n/an/a 1.23E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51785
PNG
((5E)-1-(2,5-dimethoxyphenyl)-5-(2-furanylmethylide...)
Show SMILES COc1ccc(OC)c(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C17H14N2O5S/c1-22-10-5-6-14(23-2)13(9-10)19-16(21)12(15(20)18-17(19)25)8-11-4-3-7-24-11/h3-9H,1-2H3,(H,18,20,25)
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n/an/a 1.23E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM34452
PNG
((4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl...)
Show SMILES CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1
Show InChI InChI=1S/C15H18N4OS2/c1-17-7-9-18(10-8-17)14(20)12-13(16)19(15(21)22-12)11-5-3-2-4-6-11/h2-6H,7-10,16H2,1H3
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n/an/a 1.27E+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/Q2445JXV
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 1.68E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51774
PNG
(1'-({[4-(aminosulfonyl)phenyl]amino}carbonothi...)
Show SMILES NC(=O)C1(CCN(CC1)C(=S)Nc1ccc(cc1)S(N)(=O)=O)N1CCCCC1
Show InChI InChI=1S/C18H27N5O3S2/c19-16(24)18(23-10-2-1-3-11-23)8-12-22(13-9-18)17(27)21-14-4-6-15(7-5-14)28(20,25)26/h4-7H,1-3,8-13H2,(H2,19,24)(H,21,27)(H2,20,25,26)
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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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51776
PNG
(MLS000683996 | N-(3-carbamoyl-6-methyl-4,5,6,7-tet...)
Show SMILES COC(=O)Nc1sc2CC(C)CCc2c1C(N)=O
Show InChI InChI=1S/C12H16N2O3S/c1-6-3-4-7-8(5-6)18-11(9(7)10(13)15)14-12(16)17-2/h6H,3-5H2,1-2H3,(H2,13,15)(H,14,16)
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n/an/a 1.90E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM43865
PNG
(6-formyl-4,7-dihydroxy-9-keto-5H-phenazine-1-carbo...)
Show SMILES COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12
Show InChI InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,19-21H,1H3
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n/an/a 2.06E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 2.09E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46211
PNG
(1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea | MLS-0...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
Show InChI InChI=1S/C13H19N3O2S2/c14-20(17,18)12-8-6-11(7-9-12)16-13(19)15-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,14,17,18)(H2,15,16,19)
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n/an/a 2.15E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM43224
PNG
(1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5...)
Show SMILES CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C16H15N5O2/c1-3-21-14-13(15(22)20(2)16(23)18-14)17-12(19-21)10-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+
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n/an/a 2.24E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51788
PNG
(5-[(2E)-2-(8-oxidanylidenequinolin-5-ylidene)hydra...)
Show SMILES Oc1ccc(N=Nc2cccc3c(cccc23)S(O)(=O)=O)c2cccnc12
Show InChI InChI=1S/C19H13N3O4S/c23-17-10-9-16(14-6-3-11-20-19(14)17)22-21-15-7-1-5-13-12(15)4-2-8-18(13)27(24,25)26/h1-11,23H,(H,24,25,26)
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n/an/a 2.28E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM34408
PNG
(4-amino-3-(4-methylphenyl)-5-[(4-methyl-1-piperazi...)
Show SMILES CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
Show InChI InChI=1S/C16H20N4OS2/c1-11-3-5-12(6-4-11)20-14(17)13(23-16(20)22)15(21)19-9-7-18(2)8-10-19/h3-6H,7-10,17H2,1-2H3
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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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46203
PNG
(1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea |...)
Show SMILES Clc1cccc(Cl)c1NC(=S)NCCc1ccccc1
Show InChI InChI=1S/C15H14Cl2N2S/c16-12-7-4-8-13(17)14(12)19-15(20)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19,20)
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n/an/a 2.44E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM75323
PNG
(2-[4-[[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]be...)
Show SMILES OC(=O)COc1ccc(C=NNC(=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)
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n/an/a 2.52E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51769
PNG
(1,3-bis(3-morpholin-4-ylpropyl)thiourea | 1,3-bis(...)
Show SMILES S=C(NCCCN1CCOCC1)NCCCN1CCOCC1
Show InChI InChI=1S/C15H30N4O2S/c22-15(16-3-1-5-18-7-11-20-12-8-18)17-4-2-6-19-9-13-21-14-10-19/h1-14H2,(H2,16,17,22)
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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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM48832
PNG
((5Z)-3-(4-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-4-2-10(18)3-5-11/h2-8,21H,1H3/b14-8-
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n/an/a 2.92E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM48833
PNG
((5Z)-3-(3-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-6-9(5-12(15(13)21)20(24)25)7-14-16(22)19(17(23)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a 3.03E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51783
PNG
(3-[(5E)-5-[1-(2-chlorobenzyl)-2-keto-indolin-3-yli...)
Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H15ClN2O4S2/c22-14-7-3-1-5-12(14)11-24-15-8-4-2-6-13(15)17(19(24)27)18-20(28)23(21(29)30-18)10-9-16(25)26/h1-8H,9-11H2,(H,25,26)/b18-17+
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n/an/a 3.20E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM50143
PNG
(3-[2-({3-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c(C)c1
Show InChI InChI=1S/C25H21N3O5S/c1-15-8-9-20(16(2)11-15)26-22(29)14-28-23(30)21(34-25(28)33)13-19-7-4-10-27(19)18-6-3-5-17(12-18)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32)/b21-13-
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n/an/a 3.25E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM48775
PNG
((4E)-4-[(2-methyl-3-nitro-phenyl)hydrazinylidene]-...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H13N7O5S/c1-9-12(3-2-4-13(9)24(28)29)19-20-15-14(21-22(16(15)25)17(18)30)10-5-7-11(8-6-10)23(26)27/h2-8H,1H3,(H3,18,19,21,25,30)
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n/an/a 3.37E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM50513
PNG
(4-(2,6-bis(3,4-dimethylphenyl)-1,3,5,7-tetraoxo-1,...)
Show SMILES Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O
Show InChI InChI=1S/C34H24N2O7/c1-16-5-11-22(13-18(16)3)35-30(38)24-15-25-27(33(41)36(31(25)39)23-12-6-17(2)19(4)14-23)28(26(24)32(35)40)29(37)20-7-9-21(10-8-20)34(42)43/h5-15H,1-4H3,(H,42,43)
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n/an/a 3.39E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
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n/an/a 3.49E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51789
PNG
(2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
Show InChI InChI=1S/C21H16BrN3O6S3/c22-12-4-3-5-13(10-12)23-16(26)11-25-15-7-2-1-6-14(15)17(19(25)27)18-20(28)24(21(32)33-18)8-9-34(29,30)31/h1-7,10H,8-9,11H2,(H,23,26)(H,29,30,31)/b18-17-
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n/an/a 3.65E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46206
PNG
(MLS-0109562.0001 | [1-(2-phenoxyethyl)-3-indolyl]-...)
Show SMILES S=C(N1CCCC1)c1cn(CCOc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H22N2OS/c25-21(22-12-6-7-13-22)19-16-23(20-11-5-4-10-18(19)20)14-15-24-17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2
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n/an/a 3.97E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51780
PNG
(5-[5-(6-Bromo-3-oxo-benzo[4,5]imidazo[2,1-b]thiazo...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1ccc(C=c2sc3nc4ccc(Br)cc4n3c2=O)o1
Show InChI InChI=1S/C21H10BrClN2O4S/c22-11-2-5-15-16(8-11)25-19(26)18(30-21(25)24-15)9-12-3-6-17(29-12)10-1-4-14(23)13(7-10)20(27)28/h1-9H,(H,27,28)
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n/an/a 3.97E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51772
PNG
(MLS000665240 | N-(4-bromophenyl)-2-(4-methyl-1-pip...)
Show SMILES CN1CCN(CC1)C(=S)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C13H16BrN3OS/c1-16-6-8-17(9-7-16)13(19)12(18)15-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H,15,18)
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n/an/a 4.00E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51065
PNG
((4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetic acid [1...)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)N\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)ccc12
Show InChI InChI=1S/C19H14N3O7/c1-11-6-19(25)29-17-8-14(3-4-15(11)17)28-10-18(24)21-20-9-12-7-13(22(26)27)2-5-16(12)23/h2-9H,10H2,1H3,(H,21,24)/q-1/p+1/b20-9+
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n/an/a 4.25E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51765
PNG
(MLS000573736 | SMR000184584 | cid_23701559 | sodiu...)
Show SMILES CCC(=S)C=C1Sc2ccccc2N1CCCS([O-])(=O)=O
Show InChI InChI=1S/C14H17NO3S3/c1-2-11(19)10-14-15(8-5-9-21(16,17)18)12-6-3-4-7-13(12)20-14/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17,18)/p-1
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n/an/a 4.33E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
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n/an/a 4.64E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM48806
PNG
((5Z)-3-(4-chlorobenzyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C18H13ClN2O6S/c1-27-14-7-11(6-13(16(14)22)21(25)26)8-15-17(23)20(18(24)28-15)9-10-2-4-12(19)5-3-10/h2-8,22H,9H2,1H3/b15-8-
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n/an/a 4.68E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51790
PNG
(MLS001224314 | N-[[1-(3-fluorobenzyl)indol-3-yl]me...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)
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n/an/a 4.76E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 4.87E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51786
PNG
(3-[((2Z)-5-[(acetyloxy)methyl]-3-{[(2,4-dimethoxyp...)
Show SMILES COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3o\c2=N/c2cccc(c2)C(O)=O)c(OC)c1
Show InChI InChI=1S/C28H25N3O8/c1-15-25-21(18(13-29-15)14-38-16(2)32)12-22(26(33)31-23-9-8-20(36-3)11-24(23)37-4)27(39-25)30-19-7-5-6-17(10-19)28(34)35/h5-13H,14H2,1-4H3,(H,31,33)(H,34,35)/b30-27-
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n/an/a 4.90E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM50696
PNG
(3-[5-[(1-ketothiazolo[3,2-a]benzimidazol-2-ylidene...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C21H12N2O4S/c24-19-18(28-21-22-15-6-1-2-7-16(15)23(19)21)11-14-8-9-17(27-14)12-4-3-5-13(10-12)20(25)26/h1-11H,(H,25,26)
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n/an/a 4.98E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46212
PNG
(2-[2-chloranyl-6-methoxy-4-[(Z)-[3-[2-[(4-methylph...)
Show SMILES COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(O)=O
Show InChI InChI=1S/C22H19ClN2O7S/c1-12-3-5-14(6-4-12)24-18(26)10-25-21(29)17(33-22(25)30)9-13-7-15(23)20(16(8-13)31-2)32-11-19(27)28/h3-9H,10-11H2,1-2H3,(H,24,26)(H,27,28)/b17-9-
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n/an/a 5.01E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM48873
PNG
(4-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-9-5-15(6-10-18)23-29-24-20(13-17-3-1-2-4-21(17)34-24)25(30-23)35-14-22(31)28-19-11-7-16(8-12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 5.02E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51271
PNG
((9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5...)
Show SMILES CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O2S3/c1-27-21-23-17-15-12-8-5-9-13(12)16(11-6-3-2-4-7-11)22-19(15)29-18(17)20(24-21)28-10-14(25)26/h2-4,6-7H,5,8-10H2,1H3,(H,25,26)
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n/an/a 5.06E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51778
PNG
(4-(4,5,6,7-tetrachloro-1,3-diketo-isoindolin-2-yl)...)
Show SMILES OC(=O)C1CCC(CC1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C15H11Cl4NO4/c16-9-7-8(10(17)12(19)11(9)18)14(22)20(13(7)21)6-3-1-5(2-4-6)15(23)24/h5-6H,1-4H2,(H,23,24)
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n/an/a 5.10E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM48721
PNG
(1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...)
Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)
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n/an/a 5.30E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51787
PNG
(2-chloranyl-4-[5-[(1-oxidanylidene-[1,3]thiazolo[3...)
Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C21H11ClN2O4S/c22-14-9-11(5-7-13(14)20(26)27)17-8-6-12(28-17)10-18-19(25)24-16-4-2-1-3-15(16)23-21(24)29-18/h1-10H,(H,26,27)
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n/an/a 5.86E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM50736
PNG
(6-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-yliden...)
Show SMILES CN1C(=O)\C(=C2/SC(=S)N(CCCCCC(O)=O)C2=O)c2ccccc12
Show InChI InChI=1S/C18H18N2O4S2/c1-19-12-8-5-4-7-11(12)14(16(19)23)15-17(24)20(18(25)26-15)10-6-2-3-9-13(21)22/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,21,22)/b15-14-
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n/an/a 5.97E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51773
PNG
(3-[2-({3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1C
Show InChI InChI=1S/C25H21N3O5S/c1-15-8-9-18(11-16(15)2)26-22(29)14-28-23(30)21(34-25(28)33)13-20-7-4-10-27(20)19-6-3-5-17(12-19)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32)/b21-13-
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n/an/a 6.14E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM48853
PNG
((6E)-2-(2-furanyl)-5-imino-6-[[1-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1
Show InChI InChI=1S/C21H15N5O3S/c1-28-15-8-6-13(7-9-15)25-10-2-4-14(25)12-16-18(22)26-21(23-19(16)27)30-20(24-26)17-5-3-11-29-17/h2-12,22H,1H3/b16-12+,22-18?
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n/an/a 6.65E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46207
PNG
(4-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C19H13BrN2O4S/c20-13-5-1-11(2-6-13)15-9-10-16(26-15)17(23)22-19(27)21-14-7-3-12(4-8-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)
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n/an/a 6.72E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51775
PNG
(2-[2-[(N''E)-N''-[4-(2,4-dichlorobenzyl)oxy-3-etho...)
Show SMILES CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H19Cl2N3O5S/c1-2-30-17-7-12(10-24-26-21-25-20(29)18(32-21)9-19(27)28)3-6-16(17)31-11-13-4-5-14(22)8-15(13)23/h3-8,29H,2,9-11H2,1H3,(H,27,28)
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n/an/a 8.44E+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/Q2445JXV
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 9.18E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM50703
PNG
(3-[1-(3,4-Dihydroxy-phenyl)-meth-(E)-ylidene]-4-im...)
Show SMILES CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21
Show InChI InChI=1S/C18H13N3O5S2/c1-28(25,26)10-3-4-12-15(8-10)27-18-20-17(24)11(16(19)21(12)18)6-9-2-5-13(22)14(23)7-9/h2-8,23H,19H2,1H3/b9-6-
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n/an/a 1.04E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46224
PNG
(2-[2-bromanyl-4-[(Z)-[2-[(4-ethylphenyl)amino]-4-o...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1
Show InChI InChI=1S/C21H19BrN2O5S/c1-3-12-4-6-14(7-5-12)23-21-24-20(27)17(30-21)10-13-8-15(22)19(16(9-13)28-2)29-11-18(25)26/h4-10H,3,11H2,1-2H3,(H,25,26)(H,23,24,27)
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n/an/a 1.05E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51784
PNG
(3-[3-(4-bromophenyl)-5,9-dimethyl-7-oxidanylidene-...)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12
Show InChI InChI=1S/C22H17BrO5/c1-11-15(7-8-19(24)25)22(26)28-21-12(2)20-17(9-16(11)21)18(10-27-20)13-3-5-14(23)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,24,25)
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n/an/a 1.11E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(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 1.11E+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/Q2445JXV
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 1.13E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51150
PNG
(MLS000393321 | N-[(2-chlorobenzylidene)amino]-4-ke...)
Show SMILES [O-][N+](=O)c1ccc2[nH+]c([n-]c(=O)c2c1)C(=O)N\N=C\c1ccccc1Cl
Show InChI InChI=1S/C16H10ClN5O4/c17-12-4-2-1-3-9(12)8-18-21-16(24)14-19-13-6-5-10(22(25)26)7-11(13)15(23)20-14/h1-8H,(H2,19,20,21,23,24)/b18-8+
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n/an/a 1.28E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM50311847
PNG
(2-(3-(2-(2-hydroxy-5-nitrobenzoyl)hydrazono)-2-oxo...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(ccc3O)[N+]([O-])=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H19N5O6/c1-14-6-8-15(9-7-14)25-21(31)13-28-19-5-3-2-4-17(19)22(24(28)33)26-27-23(32)18-12-16(29(34)35)10-11-20(18)30/h2-12,30H,13H2,1H3,(H,25,31)(H,27,32)
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n/an/a 1.29E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM50422
PNG
(4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(SCc2ccc(cc2)C(O)=O)nc1
Show InChI InChI=1S/C22H19N3O2S/c1-13-9-18-19(10-14(13)2)25-21(24-18)17-7-8-20(23-11-17)28-12-15-3-5-16(6-4-15)22(26)27/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 1.39E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51768
PNG
(2-[[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl...)
Show SMILES Clc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1
Show InChI InChI=1S/C20H16ClN5OS3/c21-15-7-5-13(6-8-15)11-28-19-25-26-20(30-19)29-12-18(27)24-23-10-14-9-22-17-4-2-1-3-16(14)17/h1-10,22H,11-12H2,(H,24,27)
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n/an/a 1.62E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51777
PNG
(3-[7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4...)
Show SMILES Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C22H19ClO7/c1-11-14-3-5-17(12(2)21(14)30-22(26)15(11)4-6-20(24)25)27-9-13-7-18-19(8-16(13)23)29-10-28-18/h3,5,7-8H,4,6,9-10H2,1-2H3,(H,24,25)
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n/an/a 1.74E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 1.90E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51766
PNG
(MLS000696984 | N'-[(E)-(5-methoxy-6-oxidanylidene-...)
Show SMILES COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C17H12N3O5S/c1-25-13-4-2-3-10(16(13)21)9-18-19-17(22)15-8-11-7-12(20(23)24)5-6-14(11)26-15/h2-9H,1H3,(H,19,22)/q-1/p+1/b18-9+
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n/an/a 2.52E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51767
PNG
(2-[(4-methyl-2-quinolyl)thio]-N-[5-(p-tolyl)-1,2,4...)
Show SMILES Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1
Show InChI InChI=1S/C21H18N4OS2/c1-13-7-9-15(10-8-13)20-24-21(25-28-20)23-18(26)12-27-19-11-14(2)16-5-3-4-6-17(16)22-19/h3-11H,12H2,1-2H3,(H,23,25,26)
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n/an/a 2.73E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM51791
PNG
(5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...)
Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1
Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+
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n/an/a 1.23E+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/Q2445JXV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%