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Compile Data Set for Download or QSAR

Found 11 hits of ki for monomerid = 50236140   
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))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
PDB
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Article
PubMed
5.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by CO2 hydration method


J Med Chem 51: 1945-53 (2008)


Article DOI: 10.1021/jm701426t
BindingDB Entry DOI: 10.7270/Q28P61CM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
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Article
PubMed
8.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human CA9 catalytic domain by CO2 hydration method


J Med Chem 51: 1945-53 (2008)


Article DOI: 10.1021/jm701426t
BindingDB Entry DOI: 10.7270/Q28P61CM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
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45n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)


Article DOI: 10.1021/jm401163e
BindingDB Entry DOI: 10.7270/Q2XK8JGS
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
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54n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)


Article DOI: 10.1021/jm401163e
BindingDB Entry DOI: 10.7270/Q2XK8JGS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
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55n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
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PubMed
64n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)


Article DOI: 10.1021/jm401163e
BindingDB Entry DOI: 10.7270/Q2XK8JGS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
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Article
PubMed
72n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)


Article DOI: 10.1021/jm401163e
BindingDB Entry DOI: 10.7270/Q2XK8JGS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
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150n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
PDB
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Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by CO2 hydration method


J Med Chem 51: 1945-53 (2008)


Article DOI: 10.1021/jm701426t
BindingDB Entry DOI: 10.7270/Q28P61CM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
PDB
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Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay


J Med Chem 56: 9623-34 (2013)


Article DOI: 10.1021/jm401163e
BindingDB Entry DOI: 10.7270/Q2XK8JGS
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
PDB
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Article
PubMed
1.36E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...


J Med Chem 62: 7233-7249 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00845
BindingDB Entry DOI: 10.7270/Q2D79FRD
More data for this
Ligand-Target Pair