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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for monomerid = 4703   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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Article
PubMed
n/an/a 880n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase


Bioorg Med Chem Lett 14: 5703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.085
BindingDB Entry DOI: 10.7270/Q23N22VW
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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PubMed
n/an/a 2.65E+3n/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cystolic isozyme V of Carbonic anhydrase


Bioorg Med Chem Lett 14: 5703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.085
BindingDB Entry DOI: 10.7270/Q23N22VW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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n/an/a 1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128291
BindingDB Entry DOI: 10.7270/Q2FT8QXR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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n/an/a 1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 using 4-nitrophenylacetate as substrate by esterase assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128420
BindingDB Entry DOI: 10.7270/Q2VX0MC2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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n/an/a 2.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA9 using 4-nitrophenylacetate as substrate by esterase assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128420
BindingDB Entry DOI: 10.7270/Q2VX0MC2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128291
BindingDB Entry DOI: 10.7270/Q2FT8QXR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 using 4-nitrophenylacetate as substrate by esterase assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128420
BindingDB Entry DOI: 10.7270/Q2VX0MC2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128291
BindingDB Entry DOI: 10.7270/Q2FT8QXR
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (N9))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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Article
PubMed
n/an/a 2.50E+6n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


J Med Chem 40: 4030-52 (1997)


Article DOI: 10.1021/jm970479e
BindingDB Entry DOI: 10.7270/Q2X63K41
More data for this
Ligand-Target Pair