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3 similar compounds to monomer 46229

Compile data set for download or QSAR
Wt: 410.9
BDBM46230
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Wt: 348.4
BDBM46231
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Wt: 362.4
BDBM46232
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 46230,46231,46232   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46230
PNG
(4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C18H19ClN2O3S2/c1-21(2)26(23,24)17-11-12(7-8-14(17)19)18(22)20-15-9-10-25-16-6-4-3-5-13(15)16/h3-8,11,15H,9-10H2,1-2H3,(H,20,22)
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Burnham Center for Chemical Genomics

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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/Q2474894
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46231
PNG
(3-sulfamoyl-N-thiochroman-4-yl-benzamide | MLS-035...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C16H16N2O3S2/c17-23(20,21)12-5-3-4-11(10-12)16(19)18-14-8-9-22-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,18,19)(H2,17,20,21)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46232
PNG
(3-(methylsulfamoyl)-N-thiochroman-4-yl-benzamide |...)
Show SMILES CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C17H18N2O3S2/c1-18-24(21,22)13-6-4-5-12(11-13)17(20)19-15-9-10-23-16-8-3-2-7-14(15)16/h2-8,11,15,18H,9-10H2,1H3,(H,19,20)
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Burnham Center for Chemical Genomics

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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/Q2474894
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46230
PNG
(4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C18H19ClN2O3S2/c1-21(2)26(23,24)17-11-12(7-8-14(17)19)18(22)20-15-9-10-25-16-6-4-3-5-13(15)16/h3-8,11,15H,9-10H2,1-2H3,(H,20,22)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q2DB807Z
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46231
PNG
(3-sulfamoyl-N-thiochroman-4-yl-benzamide | MLS-035...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C16H16N2O3S2/c17-23(20,21)12-5-3-4-11(10-12)16(19)18-14-8-9-22-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,18,19)(H2,17,20,21)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q2DB807Z
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46232
PNG
(3-(methylsulfamoyl)-N-thiochroman-4-yl-benzamide |...)
Show SMILES CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C17H18N2O3S2/c1-18-24(21,22)13-6-4-5-12(11-13)17(20)19-15-9-10-23-16-8-3-2-7-14(15)16/h2-8,11,15,18H,9-10H2,1H3,(H,19,20)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q21N7ZJW
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46230
PNG
(4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C18H19ClN2O3S2/c1-21(2)26(23,24)17-11-12(7-8-14(17)19)18(22)20-15-9-10-25-16-6-4-3-5-13(15)16/h3-8,11,15H,9-10H2,1-2H3,(H,20,22)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q28K77H7
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46231
PNG
(3-sulfamoyl-N-thiochroman-4-yl-benzamide | MLS-035...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C16H16N2O3S2/c17-23(20,21)12-5-3-4-11(10-12)16(19)18-14-8-9-22-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,18,19)(H2,17,20,21)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q28K77H7
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46232
PNG
(3-(methylsulfamoyl)-N-thiochroman-4-yl-benzamide |...)
Show SMILES CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C17H18N2O3S2/c1-18-24(21,22)13-6-4-5-12(11-13)17(20)19-15-9-10-23-16-8-3-2-7-14(15)16/h2-8,11,15,18H,9-10H2,1H3,(H,19,20)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q28K77H7
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46230
PNG
(4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C18H19ClN2O3S2/c1-21(2)26(23,24)17-11-12(7-8-14(17)19)18(22)20-15-9-10-25-16-6-4-3-5-13(15)16/h3-8,11,15H,9-10H2,1-2H3,(H,20,22)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q21N7ZJW
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46231
PNG
(3-sulfamoyl-N-thiochroman-4-yl-benzamide | MLS-035...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C16H16N2O3S2/c17-23(20,21)12-5-3-4-11(10-12)16(19)18-14-8-9-22-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,18,19)(H2,17,20,21)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q21N7ZJW
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46232
PNG
(3-(methylsulfamoyl)-N-thiochroman-4-yl-benzamide |...)
Show SMILES CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C17H18N2O3S2/c1-18-24(21,22)13-6-4-5-12(11-13)17(20)19-15-9-10-23-16-8-3-2-7-14(15)16/h2-8,11,15,18H,9-10H2,1H3,(H,19,20)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q2DB807Z
More data for this
Ligand-Target Pair