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14 similar compounds to monomer 71446

Compile data set for download or QSAR
Wt: 419.8
BDBM54482
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Wt: 419.8
BDBM54506
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Wt: 415.8
BDBM54839
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Wt: 429.9
BDBM58553
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Wt: 459.9
BDBM58598
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Wt: 459.9
BDBM58615
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Wt: 467.8
BDBM58626
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Wt: 339.7
BDBM63969
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Wt: 405.8
BDBM67355
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Wt: 401.8
BDBM71445
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Wt: 429.9
BDBM71449
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Wt: 415.8
BDBM71450
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Wt: 458.9
BDBM71472
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Wt: 444.8
BDBM71479
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 67 hits for monomerid = 54482,54506,54839,58553,58598,58615,58626,63969,67355,71445,71449,71450,71472,71479   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM54482
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(3-methylphenyl)...)
Show SMILES Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-3-2-4-13(9-12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-7-5-14(21)6-8-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 1.08E+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 (2010)


BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM54506
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54839
PNG
(2-benzylsulfonyl-5-chloro-N-(4-ethylphenyl)pyrimid...)
Show SMILES CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H18ClN3O3S/c1-2-14-8-10-16(11-9-14)23-19(25)18-17(21)12-22-20(24-18)28(26,27)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,25)
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n/an/a 7.28E+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/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM54839
PNG
(2-benzylsulfonyl-5-chloro-N-(4-ethylphenyl)pyrimid...)
Show SMILES CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H18ClN3O3S/c1-2-14-8-10-16(11-9-14)23-19(25)18-17(21)12-22-20(24-18)28(26,27)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,25)
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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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58553
PNG
(5-chloranyl-N-(3,4-dimethylphenyl)-2-[(2-methylphe...)
Show SMILES Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2C)cc1C
Show InChI InChI=1S/C21H20ClN3O3S/c1-13-8-9-17(10-15(13)3)24-20(26)19-18(22)11-23-21(25-19)29(27,28)12-16-7-5-4-6-14(16)2/h4-11H,12H2,1-3H3,(H,24,26)
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n/an/an/an/a 1.32E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58598
PNG
(4-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine...)
Show SMILES COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
Show InChI InChI=1S/C21H18ClN3O5S/c1-13-4-3-5-14(10-13)12-31(28,29)21-23-11-17(22)18(25-21)19(26)24-16-8-6-15(7-9-16)20(27)30-2/h3-11H,12H2,1-2H3,(H,24,26)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58615
PNG
(4-[(2-benzylsulfonyl-5-chloro-pyrimidine-4-carbony...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C21H18ClN3O5S/c1-2-30-20(27)15-8-10-16(11-9-15)24-19(26)18-17(22)12-23-21(25-18)31(28,29)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,24,26)
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n/an/an/an/a 2.12E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58626
PNG
(5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(4-methyl...)
Show SMILES Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
Show InChI InChI=1S/C20H16ClF2N3O4S/c1-12-2-4-13(5-3-12)11-31(28,29)20-24-10-16(21)17(26-20)18(27)25-14-6-8-15(9-7-14)30-19(22)23/h2-10,19H,11H2,1H3,(H,25,27)
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n/an/an/an/a 2.07E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54482
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(3-methylphenyl)...)
Show SMILES Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-3-2-4-13(9-12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-7-5-14(21)6-8-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/an/an/a 8.42E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54506
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/an/an/a 8.92E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54482
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(3-methylphenyl)...)
Show SMILES Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-3-2-4-13(9-12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-7-5-14(21)6-8-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 1.09E+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 (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54506
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 9.14E+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 (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM54839
PNG
(2-benzylsulfonyl-5-chloro-N-(4-ethylphenyl)pyrimid...)
Show SMILES CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H18ClN3O3S/c1-2-14-8-10-16(11-9-14)23-19(25)18-17(21)12-22-20(24-18)28(26,27)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,25)
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n/an/a 1.19E+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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB808D
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM63969
PNG
(5-chloranyl-2-ethylsulfonyl-N-(4-methylphenyl)pyri...)
Show SMILES CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H14ClN3O3S/c1-3-22(20,21)14-16-8-11(15)12(18-14)13(19)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)
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n/an/an/an/a 5.18E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM63969
PNG
(5-chloranyl-2-ethylsulfonyl-N-(4-methylphenyl)pyri...)
Show SMILES CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H14ClN3O3S/c1-3-22(20,21)14-16-8-11(15)12(18-14)13(19)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM54839
PNG
(2-benzylsulfonyl-5-chloro-N-(4-ethylphenyl)pyrimid...)
Show SMILES CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H18ClN3O3S/c1-2-14-8-10-16(11-9-14)23-19(25)18-17(21)12-22-20(24-18)28(26,27)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,25)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM58626
PNG
(5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(4-methyl...)
Show SMILES Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
Show InChI InChI=1S/C20H16ClF2N3O4S/c1-12-2-4-13(5-3-12)11-31(28,29)20-24-10-16(21)17(26-20)18(27)25-14-6-8-15(9-7-14)30-19(22)23/h2-10,19H,11H2,1H3,(H,25,27)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM67355
PNG
(2-benzylsulfonyl-5-chloro-N-(4-fluorophenyl)pyrimi...)
Show SMILES Fc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C18H13ClFN3O3S/c19-15-10-21-18(27(25,26)11-12-4-2-1-3-5-12)23-16(15)17(24)22-14-8-6-13(20)7-9-14/h1-10H,11H2,(H,22,24)
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n/an/a 1.41E+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- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM58626
PNG
(5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(4-methyl...)
Show SMILES Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
Show InChI InChI=1S/C20H16ClF2N3O4S/c1-12-2-4-13(5-3-12)11-31(28,29)20-24-10-16(21)17(26-20)18(27)25-14-6-8-15(9-7-14)30-19(22)23/h2-10,19H,11H2,1H3,(H,25,27)
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n/an/a 3.39E+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- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67355
PNG
(2-benzylsulfonyl-5-chloro-N-(4-fluorophenyl)pyrimi...)
Show SMILES Fc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C18H13ClFN3O3S/c19-15-10-21-18(27(25,26)11-12-4-2-1-3-5-12)23-16(15)17(24)22-14-8-6-13(20)7-9-14/h1-10H,11H2,(H,22,24)
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n/an/a 1.18E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM58626
PNG
(5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(4-methyl...)
Show SMILES Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
Show InChI InChI=1S/C20H16ClF2N3O4S/c1-12-2-4-13(5-3-12)11-31(28,29)20-24-10-16(21)17(26-20)18(27)25-14-6-8-15(9-7-14)30-19(22)23/h2-10,19H,11H2,1H3,(H,25,27)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71450
PNG
(2-benzylsulfonyl-5-chloro-N-(2,6-dimethylphenyl)py...)
Show SMILES Cc1cccc(C)c1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C20H18ClN3O3S/c1-13-7-6-8-14(2)17(13)23-19(25)18-16(21)11-22-20(24-18)28(26,27)12-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,23,25)
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n/an/an/an/a 9.14E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens (Human))
BDBM71445
PNG
(2-benzylsulfonyl-5-chloro-N-(4-methylphenyl)pyrimi...)
Show SMILES Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H16ClN3O3S/c1-13-7-9-15(10-8-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24)
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n/an/a 3.58E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2WD3Z10
More data for this
Ligand-Target Pair
NLRP3 protein


(Homo sapiens (Human))
BDBM71445
PNG
(2-benzylsulfonyl-5-chloro-N-(4-methylphenyl)pyrimi...)
Show SMILES Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H16ClN3O3S/c1-13-7-9-15(10-8-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24)
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n/an/a 1.67E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2RN369N
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM54506
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a>6.66E+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/Q2NG4P4X
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM58626
PNG
(5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(4-methyl...)
Show SMILES Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
Show InChI InChI=1S/C20H16ClF2N3O4S/c1-12-2-4-13(5-3-12)11-31(28,29)20-24-10-16(21)17(26-20)18(27)25-14-6-8-15(9-7-14)30-19(22)23/h2-10,19H,11H2,1H3,(H,25,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JQ0ZH4
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM54506
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 2.45E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM71472
PNG
(MLS001116198 | N-(4-acetamidophenyl)-5-chloranyl-2...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
Show InChI InChI=1S/C21H19ClN4O4S/c1-13-4-3-5-15(10-13)12-31(29,30)21-23-11-18(22)19(26-21)20(28)25-17-8-6-16(7-9-17)24-14(2)27/h3-11H,12H2,1-2H3,(H,24,27)(H,25,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM71479
PNG
(MLS001116215 | N-(4-acetamidophenyl)-2-benzylsulfo...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H17ClN4O4S/c1-13(26)23-15-7-9-16(10-8-15)24-19(27)18-17(21)11-22-20(25-18)30(28,29)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,26)(H,24,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM71472
PNG
(MLS001116198 | N-(4-acetamidophenyl)-5-chloranyl-2...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
Show InChI InChI=1S/C21H19ClN4O4S/c1-13-4-3-5-15(10-13)12-31(29,30)21-23-11-18(22)19(26-21)20(28)25-17-8-6-16(7-9-17)24-14(2)27/h3-11H,12H2,1-2H3,(H,24,27)(H,25,28)
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n/an/a 1.30E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM71479
PNG
(MLS001116215 | N-(4-acetamidophenyl)-2-benzylsulfo...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H17ClN4O4S/c1-13(26)23-15-7-9-16(10-8-15)24-19(27)18-17(21)11-22-20(25-18)30(28,29)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,26)(H,24,27)
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n/an/a 1.09E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM71472
PNG
(MLS001116198 | N-(4-acetamidophenyl)-5-chloranyl-2...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
Show InChI InChI=1S/C21H19ClN4O4S/c1-13-4-3-5-15(10-13)12-31(29,30)21-23-11-18(22)19(26-21)20(28)25-17-8-6-16(7-9-17)24-14(2)27/h3-11H,12H2,1-2H3,(H,24,27)(H,25,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM71479
PNG
(MLS001116215 | N-(4-acetamidophenyl)-2-benzylsulfo...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H17ClN4O4S/c1-13(26)23-15-7-9-16(10-8-15)24-19(27)18-17(21)11-22-20(25-18)30(28,29)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,26)(H,24,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM54506
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 1.97E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2B856NC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM54506
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 1.67E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QJ7FTF
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM63969
PNG
(5-chloranyl-2-ethylsulfonyl-N-(4-methylphenyl)pyri...)
Show SMILES CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H14ClN3O3S/c1-3-22(20,21)14-16-8-11(15)12(18-14)13(19)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)
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n/an/a 1.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM67355
PNG
(2-benzylsulfonyl-5-chloro-N-(4-fluorophenyl)pyrimi...)
Show SMILES Fc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C18H13ClFN3O3S/c19-15-10-21-18(27(25,26)11-12-4-2-1-3-5-12)23-16(15)17(24)22-14-8-6-13(20)7-9-14/h1-10H,11H2,(H,22,24)
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n/an/a 8.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM58553
PNG
(5-chloranyl-N-(3,4-dimethylphenyl)-2-[(2-methylphe...)
Show SMILES Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2C)cc1C
Show InChI InChI=1S/C21H20ClN3O3S/c1-13-8-9-17(10-15(13)3)24-20(26)19-18(22)11-23-21(25-19)29(27,28)12-16-7-5-4-6-14(16)2/h4-11H,12H2,1-3H3,(H,24,26)
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n/an/a 1.23E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM71445
PNG
(2-benzylsulfonyl-5-chloro-N-(4-methylphenyl)pyrimi...)
Show SMILES Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H16ClN3O3S/c1-13-7-9-15(10-8-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24)
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n/an/a 1.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM54839
PNG
(2-benzylsulfonyl-5-chloro-N-(4-ethylphenyl)pyrimid...)
Show SMILES CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H18ClN3O3S/c1-2-14-8-10-16(11-9-14)23-19(25)18-17(21)12-22-20(24-18)28(26,27)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,25)
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n/an/a 1.28E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM54482
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(3-methylphenyl)...)
Show SMILES Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-3-2-4-13(9-12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-7-5-14(21)6-8-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM71472
PNG
(MLS001116198 | N-(4-acetamidophenyl)-5-chloranyl-2...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
Show InChI InChI=1S/C21H19ClN4O4S/c1-13-4-3-5-15(10-13)12-31(29,30)21-23-11-18(22)19(26-21)20(28)25-17-8-6-16(7-9-17)24-14(2)27/h3-11H,12H2,1-2H3,(H,24,27)(H,25,28)
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n/an/a 1.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM58598
PNG
(4-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine...)
Show SMILES COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
Show InChI InChI=1S/C21H18ClN3O5S/c1-13-4-3-5-14(10-13)12-31(28,29)21-23-11-17(22)18(25-21)19(26)24-16-8-6-15(7-9-16)20(27)30-2/h3-11H,12H2,1-2H3,(H,24,26)
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n/an/a 1.24E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM54506
PNG
(5-chloranyl-N-(4-fluorophenyl)-2-[(2-methylphenyl)...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM58615
PNG
(4-[(2-benzylsulfonyl-5-chloro-pyrimidine-4-carbony...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C21H18ClN3O5S/c1-2-30-20(27)15-8-10-16(11-9-15)24-19(26)18-17(22)12-23-21(25-18)31(28,29)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,24,26)
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n/an/a 1.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM71479
PNG
(MLS001116215 | N-(4-acetamidophenyl)-2-benzylsulfo...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H17ClN4O4S/c1-13(26)23-15-7-9-16(10-8-15)24-19(27)18-17(21)11-22-20(25-18)30(28,29)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,26)(H,24,27)
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n/an/a 1.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM63969
PNG
(5-chloranyl-2-ethylsulfonyl-N-(4-methylphenyl)pyri...)
Show SMILES CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H14ClN3O3S/c1-3-22(20,21)14-16-8-11(15)12(18-14)13(19)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)
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n/an/a 7.65E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM67355
PNG
(2-benzylsulfonyl-5-chloro-N-(4-fluorophenyl)pyrimi...)
Show SMILES Fc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C18H13ClFN3O3S/c19-15-10-21-18(27(25,26)11-12-4-2-1-3-5-12)23-16(15)17(24)22-14-8-6-13(20)7-9-14/h1-10H,11H2,(H,22,24)
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n/an/a 5.43E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM58553
PNG
(5-chloranyl-N-(3,4-dimethylphenyl)-2-[(2-methylphe...)
Show SMILES Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2C)cc1C
Show InChI InChI=1S/C21H20ClN3O3S/c1-13-8-9-17(10-15(13)3)24-20(26)19-18(22)11-23-21(25-19)29(27,28)12-16-7-5-4-6-14(16)2/h4-11H,12H2,1-3H3,(H,24,26)
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n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM71445
PNG
(2-benzylsulfonyl-5-chloro-N-(4-methylphenyl)pyrimi...)
Show SMILES Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H16ClN3O3S/c1-13-7-9-15(10-8-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24)
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n/an/a 8.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
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