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Compile Data Set for Download or QSAR

Found 204 hits with Last Name = 'rahman' and Initial = 'ma'   
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 9


(Homo sapiens (Human))
BDBM50513670
PNG
(CHEMBL4526109)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(\C)=N\Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H25N5O2S/c1-15(21-22-17-5-9-19(10-6-17)27(20,25)26)16-3-7-18(8-4-16)24-13-11-23(2)12-14-24/h3-10,22H,11-14H2,1-2H3,(H2,20,25,26)/b21-15+
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2n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513665
PNG
(CHEMBL4454770)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C18H20N4O3S/c19-26(24,25)17-9-5-15(6-10-17)18(23)21-20-13-14-3-7-16(8-4-14)22-11-1-2-12-22/h3-10,13H,1-2,11-12H2,(H,21,23)(H2,19,24,25)/b20-13+
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3.10n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513662
PNG
(CHEMBL4451809)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C19H22N4O3S/c20-27(25,26)18-10-6-16(7-11-18)19(24)22-21-14-15-4-8-17(9-5-15)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2,(H,22,24)(H2,20,25,26)/b21-14+
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3.30n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513674
PNG
(CHEMBL4458485)
Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-
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5.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513674
PNG
(CHEMBL4458485)
Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-
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6.30n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513664
PNG
(CHEMBL4447743)
Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C19H24N4O2S/c1-15(21-22-17-7-11-19(12-8-17)26(20,24)25)16-5-9-18(10-6-16)23-13-3-2-4-14-23/h5-12,22H,2-4,13-14H2,1H3,(H2,20,24,25)/b21-15+
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7.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50513668
PNG
(CHEMBL4571534)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+
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8.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513668
PNG
(CHEMBL4571534)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+
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8.30n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513672
PNG
(CHEMBL4442272)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C18H20N4O4S/c19-27(24,25)17-7-3-15(4-8-17)18(23)21-20-13-14-1-5-16(6-2-14)22-9-11-26-12-10-22/h1-8,13H,9-12H2,(H,21,23)(H2,19,24,25)/b20-13+
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8.60n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513664
PNG
(CHEMBL4447743)
Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C19H24N4O2S/c1-15(21-22-17-7-11-19(12-8-17)26(20,24)25)16-5-9-18(10-6-16)23-13-3-2-4-14-23/h5-12,22H,2-4,13-14H2,1H3,(H2,20,24,25)/b21-15+
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8.70n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513673
PNG
(CHEMBL4518762)
Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C18H22N4O3S/c1-14(20-21-16-4-8-18(9-5-16)26(19,23)24)15-2-6-17(7-3-15)22-10-12-25-13-11-22/h2-9,21H,10-13H2,1H3,(H2,19,23,24)/b20-14+
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8.90n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513670
PNG
(CHEMBL4526109)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(\C)=N\Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H25N5O2S/c1-15(21-22-17-5-9-19(10-6-17)27(20,25)26)16-3-7-18(8-4-16)24-13-11-23(2)12-14-24/h3-10,22H,11-14H2,1-2H3,(H2,20,25,26)/b21-15+
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9.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513672
PNG
(CHEMBL4442272)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C18H20N4O4S/c19-27(24,25)17-7-3-15(4-8-17)18(23)21-20-13-14-1-5-16(6-2-14)22-9-11-26-12-10-22/h1-8,13H,9-12H2,(H,21,23)(H2,19,24,25)/b20-13+
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9.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50513662
PNG
(CHEMBL4451809)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C19H22N4O3S/c20-27(25,26)18-10-6-16(7-11-18)19(24)22-21-14-15-4-8-17(9-5-15)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2,(H,22,24)(H2,20,25,26)/b21-14+
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9.30n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513673
PNG
(CHEMBL4518762)
Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C18H22N4O3S/c1-14(20-21-16-4-8-18(9-5-16)26(19,23)24)15-2-6-17(7-3-15)22-10-12-25-13-11-22/h2-9,21H,10-13H2,1H3,(H2,19,23,24)/b20-14+
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9.70n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513662
PNG
(CHEMBL4451809)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C19H22N4O3S/c20-27(25,26)18-10-6-16(7-11-18)19(24)22-21-14-15-4-8-17(9-5-15)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2,(H,22,24)(H2,20,25,26)/b21-14+
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10n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171202
PNG
(CHEMBL3805222)
Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513668
PNG
(CHEMBL4571534)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+
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10n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513665
PNG
(CHEMBL4454770)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C18H20N4O3S/c19-26(24,25)17-9-5-15(6-10-17)18(23)21-20-13-14-3-7-16(8-4-14)22-11-1-2-12-22/h3-10,13H,1-2,11-12H2,(H,21,23)(H2,19,24,25)/b20-13+
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10n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50556636
PNG
(CHEMBL4764288)
Show SMILES C\C(=N/NC(=O)c1ccc(cc1)S(N)(=O)=O)c1cc2cc(Br)ccc2oc1=O
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50556640
PNG
(CHEMBL4761017)
Show SMILES Cc1ccc(cc1)S(=O)(=O)C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Br)ccc2oc1=O
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50513665
PNG
(CHEMBL4454770)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C18H20N4O3S/c19-26(24,25)17-9-5-15(6-10-17)18(23)21-20-13-14-3-7-16(8-4-14)22-11-1-2-12-22/h3-10,13H,1-2,11-12H2,(H,21,23)(H2,19,24,25)/b20-13+
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13n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513667
PNG
(CHEMBL4521702)
Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)N2CCOCC2)cc1
Show InChI InChI=1S/C17H20N4O3S/c18-25(22,23)17-7-3-15(4-8-17)20-19-13-14-1-5-16(6-2-14)21-9-11-24-12-10-21/h1-8,13,20H,9-12H2,(H2,18,22,23)/b19-13+
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13n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513661
PNG
(CHEMBL4531172)
Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C16H15N5O2S/c17-24(22,23)16-7-3-14(4-8-16)20-19-11-13-1-5-15(6-2-13)21-10-9-18-12-21/h1-12,20H,(H2,17,22,23)/b19-11+
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15n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50513672
PNG
(CHEMBL4442272)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C18H20N4O4S/c19-27(24,25)17-7-3-15(4-8-17)18(23)21-20-13-14-1-5-16(6-2-14)22-9-11-26-12-10-22/h1-8,13H,9-12H2,(H,21,23)(H2,19,24,25)/b20-13+
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16n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513667
PNG
(CHEMBL4521702)
Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)N2CCOCC2)cc1
Show InChI InChI=1S/C17H20N4O3S/c18-25(22,23)17-7-3-15(4-8-17)20-19-13-14-1-5-16(6-2-14)21-9-11-24-12-10-21/h1-8,13,20H,9-12H2,(H2,18,22,23)/b19-13+
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17n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513676
PNG
(CHEMBL4520545)
Show SMILES C\C(=N/NC(=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C23H14Cl4N4O5S/c1-10(29-30-21(32)12-4-8-14(9-5-12)37(28,35)36)11-2-6-13(7-3-11)31-22(33)15-16(23(31)34)18(25)20(27)19(26)17(15)24/h2-9H,1H3,(H,30,32)(H2,28,35,36)/b29-10+
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17n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513669
PNG
(CHEMBL4476240)
Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C18H22N4O2S/c1-14(15-4-8-17(9-5-15)22-12-2-3-13-22)20-21-16-6-10-18(11-7-16)25(19,23)24/h4-11,21H,2-3,12-13H2,1H3,(H2,19,23,24)/b20-14+
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18n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50513661
PNG
(CHEMBL4531172)
Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C16H15N5O2S/c17-24(22,23)16-7-3-14(4-8-16)20-19-11-13-1-5-15(6-2-13)21-10-9-18-12-21/h1-12,20H,(H2,17,22,23)/b19-11+
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18n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50556641
PNG
(CHEMBL4763272)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C(/CS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513663
PNG
(CHEMBL4460778)
Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)N2CCCC2)cc1
Show InChI InChI=1S/C17H20N4O2S/c18-24(22,23)17-9-5-15(6-10-17)20-19-13-14-3-7-16(8-4-14)21-11-1-2-12-21/h3-10,13,20H,1-2,11-12H2,(H2,18,22,23)/b19-13+
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19n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50556635
PNG
(CHEMBL4756105)
Show SMILES C\C(=N/NC(=O)c1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50556636
PNG
(CHEMBL4764288)
Show SMILES C\C(=N/NC(=O)c1ccc(cc1)S(N)(=O)=O)c1cc2cc(Br)ccc2oc1=O
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513675
PNG
(CHEMBL4447819)
Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)N2CCCCC2)cc1
Show InChI InChI=1S/C18H22N4O2S/c19-25(23,24)18-10-6-16(7-11-18)21-20-14-15-4-8-17(9-5-15)22-12-2-1-3-13-22/h4-11,14,21H,1-3,12-13H2,(H2,19,23,24)/b20-14+
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21n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50171206
PNG
(CHEMBL3805919)
Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Br)ccc2oc1=O
Show InChI InChI=1S/C17H14BrN3O4S/c1-10(20-21-13-3-5-14(6-4-13)26(19,23)24)15-9-11-8-12(18)2-7-16(11)25-17(15)22/h2-9,21H,1H3,(H2,19,23,24)/b20-10+
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50513666
PNG
(CHEMBL4443698)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1nnc2ccccc12
Show InChI InChI=1S/C20H16N6O3S/c21-30(28,29)17-11-7-15(8-12-17)20(27)24-22-13-14-5-9-16(10-6-14)26-19-4-2-1-3-18(19)23-25-26/h1-13H,(H,24,27)(H2,21,28,29)/b22-13+
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24n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50513675
PNG
(CHEMBL4447819)
Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)N2CCCCC2)cc1
Show InChI InChI=1S/C18H22N4O2S/c19-25(23,24)18-10-6-16(7-11-18)21-20-14-15-4-8-17(9-5-15)22-12-2-1-3-13-22/h4-11,14,21H,1-3,12-13H2,(H2,19,23,24)/b20-14+
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UniChem
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24n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50556635
PNG
(CHEMBL4756105)
Show SMILES C\C(=N/NC(=O)c1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50556640
PNG
(CHEMBL4761017)
Show SMILES Cc1ccc(cc1)S(=O)(=O)C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Br)ccc2oc1=O
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171202
PNG
(CHEMBL3805222)
Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513675
PNG
(CHEMBL4447819)
Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)N2CCCCC2)cc1
Show InChI InChI=1S/C18H22N4O2S/c19-25(23,24)18-10-6-16(7-11-18)21-20-14-15-4-8-17(9-5-15)22-12-2-1-3-13-22/h4-11,14,21H,1-3,12-13H2,(H2,19,23,24)/b20-14+
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30n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50513663
PNG
(CHEMBL4460778)
Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)N2CCCC2)cc1
Show InChI InChI=1S/C17H20N4O2S/c18-24(22,23)17-9-5-15(6-10-17)20-19-13-14-3-7-16(8-4-14)21-11-1-2-12-21/h3-10,13,20H,1-2,11-12H2,(H2,18,22,23)/b19-13+
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30n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50556635
PNG
(CHEMBL4756105)
Show SMILES C\C(=N/NC(=O)c1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112897
BindingDB Entry DOI: 10.7270/Q2183B6N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50513661
PNG
(CHEMBL4531172)
Show SMILES NS(=O)(=O)c1ccc(N\N=C\c2ccc(cc2)-n2ccnc2)cc1
Show InChI InChI=1S/C16H15N5O2S/c17-24(22,23)16-7-3-14(4-8-16)20-19-11-13-1-5-15(6-2-13)21-10-9-18-12-21/h1-12,20H,(H2,17,22,23)/b19-11+
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32n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay


Eur J Med Chem 179: 547-556 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.081
BindingDB Entry DOI: 10.7270/Q2736V81
More data for this
Ligand-Target Pair
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