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PubChem AID 540288

Compile data set for download or QSAR
Found 27 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))
BDBM82590
PNG
(5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methylsu...)
Show SMILES CSc1ccc2nc(Nc3nnc(o3)-c3ccc4OCCOc4c3)sc2c1
Show InChI InChI=1S/C18H14N4O3S2/c1-26-11-3-4-12-15(9-11)27-18(19-12)20-17-22-21-16(25-17)10-2-5-13-14(8-10)24-7-6-23-13/h2-5,8-9H,6-7H2,1H3,(H,19,20,22)
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n/an/a 682n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM31699
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[5-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1
Show InChI InChI=1S/C17H14N4O3S/c1-22-11-8-6-10(7-9-11)15-20-21-16(24-15)19-17-18-14-12(23-2)4-3-5-13(14)25-17/h3-9H,1-2H3,(H,18,19,21)
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n/an/a 3.61E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM76332
PNG
(MLS000325167 | N-[5-(1,3-benzothiazol-2-yl)-2-meth...)
Show SMILES Cc1ccc(cc1NC(=O)c1cc(ccc1Cl)-n1cnnc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C23H16ClN5OS/c1-14-6-7-15(23-28-19-4-2-3-5-21(19)31-23)10-20(14)27-22(30)17-11-16(8-9-18(17)24)29-12-25-26-13-29/h2-13H,1H3,(H,27,30)
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n/an/a 3.69E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82577
PNG
((4-fluoro-1,3-benzothiazol-2-yl)-[5-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3c(F)cccc3s2)o1
Show InChI InChI=1S/C16H11FN4O2S/c1-22-10-7-5-9(6-8-10)14-20-21-15(23-14)19-16-18-13-11(17)3-2-4-12(13)24-16/h2-8H,1H3,(H,18,19,21)
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n/an/a 3.71E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM40201
PNG
(5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2...)
Show SMILES COc1cccc2sc(Nc3nnc(o3)-c3ccc(F)cc3)nc12
Show InChI InChI=1S/C16H11FN4O2S/c1-22-11-3-2-4-12-13(11)18-16(24-12)19-15-21-20-14(23-15)9-5-7-10(17)8-6-9/h2-8H,1H3,(H,18,19,21)
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n/an/a 7.30E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82582
PNG
(2-chloranyl-N-[4-(5-methyl-1,3-benzothiazol-2-yl)p...)
Show SMILES Cc1ccc2sc(nc2c1)-c1ccc(NC(=O)c2cc(ccc2Cl)-n2cnnc2)cc1
Show InChI InChI=1S/C23H16ClN5OS/c1-14-2-9-21-20(10-14)28-23(31-21)15-3-5-16(6-4-15)27-22(30)18-11-17(7-8-19(18)24)29-12-25-26-13-29/h2-13H,1H3,(H,27,30)
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n/an/a 1.14E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82576
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-(5-phenyl-1,3,4-...)
Show SMILES COc1cccc2sc(Nc3nnc(o3)-c3ccccc3)nc12
Show InChI InChI=1S/C16H12N4O2S/c1-21-11-8-5-9-12-13(11)17-16(23-12)18-15-20-19-14(22-15)10-6-3-2-4-7-10/h2-9H,1H3,(H,17,18,20)
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n/an/a 1.20E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82581
PNG
(MLS-0098643.0002 | N-[4-(1,3-benzothiazol-2-yl)phe...)
Show SMILES Clc1ccc(cc1C(=O)Nc1ccc(cc1)-c1nc2ccccc2s1)-n1cnnc1
Show InChI InChI=1S/C22H14ClN5OS/c23-18-10-9-16(28-12-24-25-13-28)11-17(18)21(29)26-15-7-5-14(6-8-15)22-27-19-3-1-2-4-20(19)30-22/h1-13H,(H,26,29)
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n/an/a 1.21E+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, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82578
PNG
(5-(2,4-dimethoxyphenyl)-N-(4-fluoranyl-1,3-benzoth...)
Show SMILES COc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c(OC)c1
Show InChI InChI=1S/C17H13FN4O3S/c1-23-9-6-7-10(12(8-9)24-2)15-21-22-16(25-15)20-17-19-14-11(18)4-3-5-13(14)26-17/h3-8H,1-2H3,(H,19,20,22)
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n/an/a 1.37E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82589
PNG
(5-(4-methoxyphenyl)-N-(6-methylsulfanyl-1,3-benzot...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3ccc(SC)cc3s2)o1
Show InChI InChI=1S/C17H14N4O2S2/c1-22-11-5-3-10(4-6-11)15-20-21-16(23-15)19-17-18-13-8-7-12(24-2)9-14(13)25-17/h3-9H,1-2H3,(H,18,19,21)
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n/an/a 1.54E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM239
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[5-(2-thienyl)-1...)
Show SMILES COc1cccc2sc(Nc3nnc(o3)-c3cccs3)nc12
Show InChI InChI=1S/C14H10N4O2S2/c1-19-8-4-2-5-9-11(8)15-14(22-9)16-13-18-17-12(20-13)10-6-3-7-21-10/h2-7H,1H3,(H,15,16,18)
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n/an/a 1.56E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82583
PNG
(MLS-0109853.0002 | N-[3-(1,3-benzothiazol-2-yl)-2-...)
Show SMILES Cc1c(NC(=O)c2cc(ccc2Cl)-n2cnnc2)cccc1-c1nc2ccccc2s1
Show InChI InChI=1S/C23H16ClN5OS/c1-14-16(23-28-20-6-2-3-8-21(20)31-23)5-4-7-19(14)27-22(30)17-11-15(9-10-18(17)24)29-12-25-26-13-29/h2-13H,1H3,(H,27,30)
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n/an/a 1.83E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM84404
PNG
(2-chloro-N-[3-methyl-4-[[2-[[4-methyl-5-(2-thienyl...)
Show SMILES Cc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)CSc1nnc(-c2cccs2)n1C
Show InChI InChI=1S/C23H20ClN5O2S2/c1-14-12-15(25-22(31)16-6-3-4-7-17(16)24)9-10-18(14)26-20(30)13-33-23-28-27-21(29(23)2)19-8-5-11-32-19/h3-12H,13H2,1-2H3,(H,25,31)(H,26,30)
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n/an/a 2.53E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82587
PNG
(MLS-0437611.0002 | N-[2-(1,3-benzothiazol-2-yl)-5-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(C)nn1-c1nc2ccccc2s1
Show InChI InChI=1S/C19H16N4O2S/c1-12-11-17(21-18(24)13-7-9-14(25-2)10-8-13)23(22-12)19-20-15-5-3-4-6-16(15)26-19/h3-11H,1-2H3,(H,21,24)
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n/an/a 3.63E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82585
PNG
(2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]...)
Show SMILES Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)c4ccc(Cl)cc4)sc3c2)nnc1-c1ccc(N)cc1
Show InChI InChI=1S/C26H21ClN6O2S3/c1-33-24(16-4-8-18(28)9-5-16)31-32-25(33)36-14-23(35)29-19-10-11-20-22(12-19)38-26(30-20)37-13-21(34)15-2-6-17(27)7-3-15/h2-12H,13-14,28H2,1H3,(H,29,35)
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n/an/a 4.06E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82573
PNG
(4-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benza...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc2c(OC)cccc2s1
Show InChI InChI=1S/C16H14N2O3S/c1-20-11-8-6-10(7-9-11)15(19)18-16-17-14-12(21-2)4-3-5-13(14)22-16/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 4.19E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82579
PNG
(4-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc2c(OC)ccc(C)c2s1
Show InChI InChI=1S/C17H16N2O3S/c1-10-4-9-13(22-3)14-15(10)23-17(18-14)19-16(20)11-5-7-12(21-2)8-6-11/h4-9H,1-3H3,(H,18,19,20)
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n/an/a 4.87E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM84405
PNG
(N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-benza...)
Show SMILES CCOc1cccc2sc(NC(=O)c3ccc(OC)cc3)nc12
Show InChI InChI=1S/C17H16N2O3S/c1-3-22-13-5-4-6-14-15(13)18-17(23-14)19-16(20)11-7-9-12(21-2)10-8-11/h4-10H,3H2,1-2H3,(H,18,19,20)
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n/an/a 5.17E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82572
PNG
(4-cyano-N-(4-methoxy-1,3-benzothiazol-2-yl)benzami...)
Show SMILES COc1cccc2sc(NC(=O)c3ccc(cc3)C#N)nc12
Show InChI InChI=1S/C16H11N3O2S/c1-21-12-3-2-4-13-14(12)18-16(22-13)19-15(20)11-7-5-10(9-17)6-8-11/h2-8H,1H3,(H,18,19,20)
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n/an/a 5.76E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82580
PNG
(3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-(6-chl...)
Show SMILES Cc1cc(Cl)cc2sc(nc12)N(Cc1cccnc1)C(=O)c1cccc(c1)-n1c(O)ccc1O
Show InChI InChI=1S/C25H19ClN4O3S/c1-15-10-18(26)12-20-23(15)28-25(34-20)29(14-16-4-3-9-27-13-16)24(33)17-5-2-6-19(11-17)30-21(31)7-8-22(30)32/h2-13,31-32H,14H2,1H3
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n/an/a 5.82E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82570
PNG
(4-benzoyl-N-(4-methoxy-1,3-benzothiazol-2-yl)benza...)
Show SMILES COc1cccc2sc(NC(=O)c3ccc(cc3)C(=O)c3ccccc3)nc12
Show InChI InChI=1S/C22H16N2O3S/c1-27-17-8-5-9-18-19(17)23-22(28-18)24-21(26)16-12-10-15(11-13-16)20(25)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,24,26)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82588
PNG
(MLS-0437602.0002 | N-[[5-[2-(1,3-benzothiazol-2-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C29H27ClN6O2S2/c1-29(2,3)19-13-11-18(12-14-19)26(38)31-16-24-34-35-28(36(24)21-8-6-7-20(30)15-21)39-17-25(37)33-27-32-22-9-4-5-10-23(22)40-27/h4-15H,16-17H2,1-3H3,(H,31,38)(H,32,33,37)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82571
PNG
(MLS-0437597.0002 | N-(4-methoxy-1,3-benzothiazol-2...)
Show SMILES COc1cccc2sc(NC(=O)c3ccccc3)nc12
Show InChI InChI=1S/C15H12N2O2S/c1-19-11-8-5-9-12-13(11)16-15(20-12)17-14(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82584
PNG
(2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phe...)
Show SMILES Cn1cnnc1SCC(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1
Show InChI InChI=1S/C20H17N5O2S3/c1-25-12-21-24-19(25)28-11-18(27)22-14-7-8-15-17(9-14)30-20(23-15)29-10-16(26)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,22,27)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82586
PNG
(MLS-0437641.0002 | N-[[3-(1,3-benzothiazol-2-yl)-4...)
Show SMILES Cc1ccc(cc1)C(=O)NC(=S)Nc1ccc(Cl)c(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C22H16ClN3OS2/c1-13-6-8-14(9-7-13)20(27)26-22(28)24-15-10-11-17(23)16(12-15)21-25-18-4-2-3-5-19(18)29-21/h2-12H,1H3,(H2,24,26,27,28)
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n/an/a>6.60E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82574
PNG
(MLS-0437600.0002 | N-(4-methoxy-1,3-benzothiazol-2...)
Show SMILES COc1cccc2sc(NC(=O)c3cccc(c3)C(F)(F)F)nc12
Show InChI InChI=1S/C16H11F3N2O2S/c1-23-11-6-3-7-12-13(11)20-15(24-12)21-14(22)9-4-2-5-10(8-9)16(17,18)19/h2-8H,1H3,(H,20,21,22)
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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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM82575
PNG
(4-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benz...)
Show SMILES COc1ccc(cc1)C(=O)NNc1nc2c(OC)cccc2s1
Show InChI InChI=1S/C16H15N3O3S/c1-21-11-8-6-10(7-9-11)15(20)18-19-16-17-14-12(22-2)4-3-5-13(14)23-16/h3-9H,1-2H3,(H,17,19)(H,18,20)
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n/an/a>6.60E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2028Q2X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%