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11 similar compounds to monomer 28879

Compile data set for download or QSAR
Wt: 527.6
BDBM28880
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Wt: 501.5
BDBM28881
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Wt: 506.0
BDBM28882
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Wt: 516.0
BDBM28886
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Wt: 539.6
BDBM44484
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Wt: 525.6
BDBM50907
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Wt: 483.9
BDBM50211930
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Wt: 612.1
BDBM50303173
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Wt: 595.6
BDBM50303174
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Wt: 577.6
BDBM50303175
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Wt: 485.5
BDBM50303183
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 28880,28881,28882,28886,44484,50907,50211930,50303173,50303174,50303175,50303183   
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
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM28880
PNG
(2-[(5Z)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5...)
Show SMILES CC1Cc2cc(ccc2O1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C24H21N3O5S3/c1-15-11-17-12-16(7-8-20(17)32-15)22-18(14-27(25-22)19-5-3-2-4-6-19)13-21-23(28)26(24(33)34-21)9-10-35(29,30)31/h2-8,12-15H,9-11H2,1H3,(H,29,30,31)/b21-13-
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n/an/a 2.29E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained MAPKKide, LF (List Biological Labor...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211930
PNG
(4-(5-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C23H18ClN3O3S2/c24-17-10-8-15(9-11-17)21-16(14-27(25-21)18-5-2-1-3-6-18)13-19-22(30)26(23(31)32-19)12-4-7-20(28)29/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,28,29)/b19-13-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM28882
PNG
(2-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C21H16ClN3O4S3/c22-16-8-6-14(7-9-16)19-15(13-25(23-19)17-4-2-1-3-5-17)12-18-20(26)24(21(30)31-18)10-11-32(27,28)29/h1-9,12-13H,10-11H2,(H,27,28,29)/b18-12-
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n/an/a 3.66E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained MAPKKide, LF (List Biological Labor...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM28886
PNG
(3-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol...)
Show SMILES Clc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
Show InChI InChI=1S/C23H18ClN3O3S3/c24-17-8-6-15(7-9-17)21-16(13-26(25-21)18-4-2-1-3-5-18)12-20-22(28)27(23(31)32-20)19-10-11-33(29,30)14-19/h1-9,12-13,19H,10-11,14H2/b20-12-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained MAPKKide, LF (List Biological Labor...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Botulinum Neurotoxin Type A


(Clostridium botulinum)
BDBM28880
PNG
(2-[(5Z)-5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5...)
Show SMILES CC1Cc2cc(ccc2O1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C24H21N3O5S3/c1-15-11-17-12-16(7-8-20(17)32-15)22-18(14-27(25-22)19-5-3-2-4-6-19)13-21-23(28)26(24(33)34-21)9-10-35(29,30)31/h2-8,12-15H,9-11H2,1H3,(H,29,30,31)/b21-13-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plates in which each reaction mixture contained SNAPtide, BoNT /A (List Biological...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Botulinum Neurotoxin Type A


(Clostridium botulinum)
BDBM28881
PNG
(2-[(5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazo...)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O5S3/c1-30-18-9-7-15(8-10-18)20-16(14-25(23-20)17-5-3-2-4-6-17)13-19-21(26)24(22(31)32-19)11-12-33(27,28)29/h2-10,13-14H,11-12H2,1H3,(H,27,28,29)/b19-13-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plates in which each reaction mixture contained SNAPtide, BoNT /A (List Biological...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Botulinum Neurotoxin Type A


(Clostridium botulinum)
BDBM28882
PNG
(2-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C21H16ClN3O4S3/c22-16-8-6-14(7-9-16)19-15(13-25(23-19)17-4-2-1-3-5-17)12-18-20(26)24(21(30)31-18)10-11-32(27,28)29/h1-9,12-13H,10-11H2,(H,27,28,29)/b18-12-
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n/an/a 2.64E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plates in which each reaction mixture contained SNAPtide, BoNT /A (List Biological...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Botulinum Neurotoxin Type A


(Clostridium botulinum)
BDBM28886
PNG
(3-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol...)
Show SMILES Clc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
Show InChI InChI=1S/C23H18ClN3O3S3/c24-17-8-6-15(7-9-17)21-16(13-26(25-21)18-4-2-1-3-5-18)12-20-22(28)27(23(31)32-20)19-10-11-33(29,30)14-19/h1-9,12-13,19H,10-11,14H2/b20-12-
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n/an/a>2.00E+5n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plates in which each reaction mixture contained SNAPtide, BoNT /A (List Biological...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44484
PNG
((5Z)-3-(1,1-diketothiolan-3-yl)-5-[[1-phenyl-3-(4-...)
Show SMILES CCCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
Show InChI InChI=1S/C26H25N3O4S3/c1-2-13-33-22-10-8-18(9-11-22)24-19(16-28(27-24)20-6-4-3-5-7-20)15-23-25(30)29(26(34)35-23)21-12-14-36(31,32)17-21/h3-11,15-16,21H,2,12-14,17H2,1H3/b23-15-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44484
PNG
((5Z)-3-(1,1-diketothiolan-3-yl)-5-[[1-phenyl-3-(4-...)
Show SMILES CCCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
Show InChI InChI=1S/C26H25N3O4S3/c1-2-13-33-22-10-8-18(9-11-22)24-19(16-28(27-24)20-6-4-3-5-7-20)15-23-25(30)29(26(34)35-23)21-12-14-36(31,32)17-21/h3-11,15-16,21H,2,12-14,17H2,1H3/b23-15-
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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
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM50907
PNG
((5Z)-3-(1,1-diketothiolan-3-yl)-5-[(1-phenyl-3-p-p...)
Show SMILES CCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4S3/c1-2-32-21-10-8-17(9-11-21)23-18(15-27(26-23)19-6-4-3-5-7-19)14-22-24(29)28(25(33)34-22)20-12-13-35(30,31)16-20/h3-11,14-15,20H,2,12-13,16H2,1H3/b22-14-
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n/an/a 2.09E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM50907
PNG
((5Z)-3-(1,1-diketothiolan-3-yl)-5-[(1-phenyl-3-p-p...)
Show SMILES CCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4S3/c1-2-32-21-10-8-17(9-11-21)23-18(15-27(26-23)19-6-4-3-5-7-19)14-22-24(29)28(25(33)34-22)20-12-13-35(30,31)16-20/h3-11,14-15,20H,2,12-13,16H2,1H3/b22-14-
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM50907
PNG
((5Z)-3-(1,1-diketothiolan-3-yl)-5-[(1-phenyl-3-p-p...)
Show SMILES CCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4S3/c1-2-32-21-10-8-17(9-11-21)23-18(15-27(26-23)19-6-4-3-5-7-19)14-22-24(29)28(25(33)34-22)20-12-13-35(30,31)16-20/h3-11,14-15,20H,2,12-13,16H2,1H3/b22-14-
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50303183
PNG
(2-(4-oxo-5-((1-phenyl-3-p-tolyl-1H-pyrazol-4-yl)me...)
Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O4S3/c1-15-7-9-16(10-8-15)20-17(14-25(23-20)18-5-3-2-4-6-18)13-19-21(26)24(22(30)31-19)11-12-32(27,28)29/h2-10,13-14H,11-12H2,1H3,(H,27,28,29)/b19-13-
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n/an/a 4.93E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZRN
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM50907
PNG
((5Z)-3-(1,1-diketothiolan-3-yl)-5-[(1-phenyl-3-p-p...)
Show SMILES CCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4S3/c1-2-32-21-10-8-17(9-11-21)23-18(15-27(26-23)19-6-4-3-5-7-19)14-22-24(29)28(25(33)34-22)20-12-13-35(30,31)16-20/h3-11,14-15,20H,2,12-13,16H2,1H3/b22-14-
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n/an/an/an/a 1.31E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a 7.03E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50303183
PNG
(2-(4-oxo-5-((1-phenyl-3-p-tolyl-1H-pyrazol-4-yl)me...)
Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O4S3/c1-15-7-9-16(10-8-15)20-17(14-25(23-20)18-5-3-2-4-6-18)13-19-21(26)24(22(30)31-19)11-12-32(27,28)29/h2-10,13-14H,11-12H2,1H3,(H,27,28,29)/b19-13-
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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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 4.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a>9.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 1.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a 7.75E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50303183
PNG
(2-(4-oxo-5-((1-phenyl-3-p-tolyl-1H-pyrazol-4-yl)me...)
Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O4S3/c1-15-7-9-16(10-8-15)20-17(14-25(23-20)18-5-3-2-4-6-18)13-19-21(26)24(22(30)31-19)11-12-32(27,28)29/h2-10,13-14H,11-12H2,1H3,(H,27,28,29)/b19-13-
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a 1.61E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a>9.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2WQ02FK
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50303173
PNG
(2-(5-((3-(4-(2-chlorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 300n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant CD45


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 420n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM50303173
PNG
(2-(5-((3-(4-(2-chlorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 470n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant MKP1


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 500n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant CD45


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 520n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant MKP1


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50303173
PNG
(2-(5-((3-(4-(2-chlorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 590n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a 610n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant CD45


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a 780n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant MKP1


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 870n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant HePTP


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50303173
PNG
(2-(5-((3-(4-(2-chlorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant HePTP


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant HePTP


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM28881
PNG
(2-[(5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazo...)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O5S3/c1-30-18-9-7-15(8-10-18)20-16(14-25(23-20)17-5-3-2-4-6-17)13-19-21(26)24(22(31)32-19)11-12-33(27,28)29/h2-10,13-14H,11-12H2,1H3,(H,27,28,29)/b19-13-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM28882
PNG
(2-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C21H16ClN3O4S3/c22-16-8-6-14(7-9-16)19-15(13-25(23-19)17-4-2-1-3-5-17)12-18-20(26)24(21(30)31-18)10-11-32(27,28)29/h1-9,12-13H,10-11H2,(H,27,28,29)/b18-12-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 2.80E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdc25a


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303183
PNG
(2-(4-oxo-5-((1-phenyl-3-p-tolyl-1H-pyrazol-4-yl)me...)
Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O4S3/c1-15-7-9-16(10-8-15)20-17(14-25(23-20)18-5-3-2-4-6-18)13-19-21(26)24(22(30)31-19)11-12-32(27,28)29/h2-10,13-14H,11-12H2,1H3,(H,27,28,29)/b19-13-
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n/an/a 3.10E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50303173
PNG
(2-(5-((3-(4-(2-chlorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdc25a


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdc25a


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303173
PNG
(2-(5-((3-(4-(2-chlorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 71n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 74n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303175
PNG
(2-(5-((3-(4-(benzyloxy)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)/b25-17-
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n/an/a 78n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50303174
PNG
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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n/an/a 74n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of VHR


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM28881
PNG
(2-[(5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazo...)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O5S3/c1-30-18-9-7-15(8-10-18)20-16(14-25(23-20)17-5-3-2-4-6-17)13-19-21(26)24(22(31)32-19)11-12-33(27,28)29/h2-10,13-14H,11-12H2,1H3,(H,27,28,29)/b19-13-
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n/an/a 2.04E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained MAPKKide, LF (List Biological Labor...


Chem Biol Drug Des 71: 131-9 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00617.x
BindingDB Entry DOI: 10.7270/Q2KW5DCN
More data for this
Ligand-Target Pair