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BDBM50029770 4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide::4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide::ACETYLSULFAMETHOXAZOLE::BACTRIM::CHEMBL443::COTRIM::GANTANOL::GANTANOL-DS::RO 4-2130::SEPTRA::SULFAMETHOPRIM::SULFAMETHOPRIM-DS::SULFAMETHOXAZOLE SODIUM::SULFATRIM::SULFATRIM-DS::SULFATRIM-SS::SULMEPRIM::SULPHAMETHOXAZOLE::TRIMETH/SULFA::UROBAK

SMILES: Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1

InChI Key: InChIKey=JLKIGFTWXXRPMT-UHFFFAOYSA-N

Data: 1 KI  9 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50029770   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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Article
PubMed
10.1n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition constant for human immunodeficiency virus type 1 protease


J Med Chem 47: 5953-61 (2004)

More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a 9.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a 100n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined against dihydrofolate reductase in Pneumocystis carinii in the prence of 100 micro M PABA.


J Med Chem 38: 4739-59 (1996)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.


J Med Chem 38: 1344-54 (1995)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-l binding to endothelin A receptor of rat thoracic aorta smooth muscle cells


J Med Chem 38: 659-68 (1995)

More data for this
Ligand-Target Pair
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a 4.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydropteroate synthase from Escherichia coli.


J Med Chem 28: 1870-4 (1986)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/an/a 577n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for human immunodeficiency virus type 1 protease


J Med Chem 47: 5953-61 (2004)

More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a>1.00E+7n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of PAD4 by ABPP-based assay


Bioorg Med Chem 16: 739-45 (2008)

More data for this
Ligand-Target Pair
6-phospho-1-fructokinase


(Trypanosoma brucei)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a>5.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a>1.19E+5n/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 (2010)

More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50029770
PNG
(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Show InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
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n/an/a 3.33E+5n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125 I] ET-1 from rat aortic smooth muscle A7r5 cells transfected with Endothelin A receptor


Bioorg Med Chem Lett 10: 1875-8 (2000)

More data for this
Ligand-Target Pair