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4 similar compounds to monomer 152638

Compile data set for download or QSAR
Wt: 330.3
BDBM152639
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Wt: 378.4
BDBM152644
Wt: 392.4
BDBM152652
Wt: 421.4
BDBM54942
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 152639,152644,152652,54942   
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
plectin 1


(Homo sapiens (Human))
BDBM54942
PNG
(3-(1,3-dioxo-2-isoindolyl)-N-(4-sulfamoylphenyl)be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H15N3O5S/c22-30(28,29)16-10-8-14(9-11-16)23-19(25)13-4-3-5-15(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)(H2,22,28,29)
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n/an/a 1.06E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens (Human))
BDBM54942
PNG
(3-(1,3-dioxo-2-isoindolyl)-N-(4-sulfamoylphenyl)be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H15N3O5S/c22-30(28,29)16-10-8-14(9-11-16)23-19(25)13-4-3-5-15(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)(H2,22,28,29)
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n/an/a 1.71E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2QZ28D7
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM54942
PNG
(3-(1,3-dioxo-2-isoindolyl)-N-(4-sulfamoylphenyl)be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H15N3O5S/c22-30(28,29)16-10-8-14(9-11-16)23-19(25)13-4-3-5-15(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)(H2,22,28,29)
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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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM54942
PNG
(3-(1,3-dioxo-2-isoindolyl)-N-(4-sulfamoylphenyl)be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H15N3O5S/c22-30(28,29)16-10-8-14(9-11-16)23-19(25)13-4-3-5-15(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)(H2,22,28,29)
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n/an/a 4.02E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
DENV2 protease (NS2B-NS3)


(Dengue virus 2 (Virus))
BDBM152652
PNG
(4-(1,3-Dioxoisoindolin-2-yl)-N-p-tolylbenzenesulph...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(cc2)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C30H21Cl3N4S/c31-18-2-1-3-22(12-18)37-30(38)36-21-8-4-17(5-9-21)29(25-15-34-27-10-6-19(32)13-23(25)27)26-16-35-28-11-7-20(33)14-24(26)28/h1-16,29,34-35H,(H2,36,37,38)
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n/an/a>1.00E+5n/an/an/an/a8.5n/a



Birla Institute of Technology



Assay Description
To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...


Bioorg Chem 62: 74-82 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.005
BindingDB Entry DOI: 10.7270/Q2VT1QTG
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens (Human))
BDBM54942
PNG
(3-(1,3-dioxo-2-isoindolyl)-N-(4-sulfamoylphenyl)be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H15N3O5S/c22-30(28,29)16-10-8-14(9-11-16)23-19(25)13-4-3-5-15(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)(H2,22,28,29)
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n/an/a>9.41E+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
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM54942
PNG
(3-(1,3-dioxo-2-isoindolyl)-N-(4-sulfamoylphenyl)be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H15N3O5S/c22-30(28,29)16-10-8-14(9-11-16)23-19(25)13-4-3-5-15(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)(H2,22,28,29)
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n/an/a 3.08E+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) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
DENV2 protease (NS2B-NS3)


(Dengue virus 2 (Virus))
BDBM152639
PNG
(4-(1,3-Dioxoisoindolin-2-yl)-N,N-dimethyl benzenes...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C27H24N4O2S/c1-2-33-27(32)31-26(34)30-18-13-11-17(12-14-18)25(21-15-28-23-9-5-3-7-19(21)23)22-16-29-24-10-6-4-8-20(22)24/h3-16,25,28-29H,2H2,1H3,(H2,30,31,32,34)
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n/an/a>1.00E+5n/an/an/an/a8.5n/a



Birla Institute of Technology



Assay Description
To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...


Bioorg Chem 62: 74-82 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.005
BindingDB Entry DOI: 10.7270/Q2VT1QTG
More data for this
Ligand-Target Pair
DENV2 protease (NS2B-NS3)


(Dengue virus 2 (Virus))
BDBM152644
PNG
(4-(1,3-Dioxoisoindolin-2-yl)-N-phenylbenzenesulpho...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C30H22Br2N4S/c31-19-8-12-27-23(14-19)25(16-33-27)29(26-17-34-28-13-9-20(32)15-24(26)28)18-6-10-22(11-7-18)36-30(37)35-21-4-2-1-3-5-21/h1-17,29,33-34H,(H2,35,36,37)
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n/an/a>1.00E+5n/an/an/an/a8.5n/a



Birla Institute of Technology



Assay Description
To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz...


Bioorg Chem 62: 74-82 (2015)


Article DOI: 10.1016/j.bioorg.2015.07.005
BindingDB Entry DOI: 10.7270/Q2VT1QTG
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM54942
PNG
(3-(1,3-dioxo-2-isoindolyl)-N-(4-sulfamoylphenyl)be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H15N3O5S/c22-30(28,29)16-10-8-14(9-11-16)23-19(25)13-4-3-5-15(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)(H2,22,28,29)
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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