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Compile Data Set for Download or QSAR

Found 250 hits with Last Name = 'durgun' and Initial = 'm'   
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))
BDBM50157952
PNG
(2-Morpholin-4-yl-N-(5-sulfamoyl-[1,3,4]thiadiazol-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN2CCOCC2)s1
Show InChI InChI=1S/C8H13N5O4S2/c9-19(15,16)8-12-11-7(18-8)10-6(14)5-13-1-3-17-4-2-13/h1-5H2,(H2,9,15,16)(H,10,11,14)
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0.900n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50157949
PNG
(2-(4-Methyl-piperazin-1-yl)-N-(5-sulfamoyl-[1,3,4]...)
Show SMILES CN1CCN(CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C9H16N6O3S2/c1-14-2-4-15(5-3-14)6-7(16)11-8-12-13-9(19-8)20(10,17)18/h2-6H2,1H3,(H2,10,17,18)(H,11,12,16)
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1.60n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
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1.70n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50157958
PNG
(2-(4-Benzyl-piperazin-1-yl)-N-(5-sulfamoyl-[1,3,4]...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN2CCN(Cc3ccccc3)CC2)s1
Show InChI InChI=1S/C15H20N6O3S2/c16-26(23,24)15-19-18-14(25-15)17-13(22)11-21-8-6-20(7-9-21)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,16,23,24)(H,17,18,22)
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1.80n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50140448
PNG
(CHEMBL1579806)
Show SMILES COc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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1.80n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50157950
PNG
(3-(4-Methyl-piperazin-1-yl)-N-(5-sulfamoyl-[1,3,4]...)
Show SMILES CN1CCN(CCC(=O)Nc2nnc(s2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C10H18N6O3S2/c1-15-4-6-16(7-5-15)3-2-8(17)12-9-13-14-10(20-9)21(11,18)19/h2-7H2,1H3,(H2,11,18,19)(H,12,13,17)
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1.90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143605
PNG
(CHEMBL3758188)
Show SMILES Cc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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1.90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50139131
PNG
(CHEMBL3759945)
Show SMILES CN(C)c1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H19N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-10,17H,11H2,1-2H3,(H2,16,19,20)
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1.90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143779
PNG
(CHEMBL3759587)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1
Show InChI InChI=1S/C13H12Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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2.10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143605
PNG
(CHEMBL3758188)
Show SMILES Cc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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2.10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50139130
PNG
(CHEMBL3758586)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C13H12Cl2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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2.20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013789
PNG
(46 R.P | BENZYLSULFAMIDE | Benzylsulfanilamide)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
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2.20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50140448
PNG
(CHEMBL1579806)
Show SMILES COc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H16N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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2.20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143771
PNG
(CHEMBL3758537)
Show SMILES Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
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2.20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50139130
PNG
(CHEMBL3758586)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C13H12Cl2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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2.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143771
PNG
(CHEMBL3758537)
Show SMILES Cc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
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2.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143779
PNG
(CHEMBL3759587)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1
Show InChI InChI=1S/C13H12Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-6,17-18H,7H2,(H2,16,19,20)
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2.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50139131
PNG
(CHEMBL3759945)
Show SMILES CN(C)c1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H19N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-10,17H,11H2,1-2H3,(H2,16,19,20)
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2.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50140309
PNG
(CHEMBL248691)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1
Show InChI InChI=1S/C13H13ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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2.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143601
PNG
(CHEMBL3759307)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C20H20N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2,(H2,21,23,24)
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2.5n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143769
PNG
(CHEMBL3760099)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1
Show InChI InChI=1S/C13H13BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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2.60n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50140309
PNG
(CHEMBL248691)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1
Show InChI InChI=1S/C13H13ClN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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2.60n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143803
PNG
(CHEMBL3758614)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1
Show InChI InChI=1S/C13H14N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2,(H2,14,17,18)
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2.90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50082767
PNG
(CHEMBL3423266)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H24N2O3S/c23-28(25,26)22-12-8-18(9-13-22)14-15-24-16-19-6-10-21(11-7-19)27-17-20-4-2-1-3-5-20/h1-13,24H,14-17H2,(H2,23,25,26)
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2.90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143803
PNG
(CHEMBL3758614)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccccc2O)cc1
Show InChI InChI=1S/C13H14N2O3S/c14-19(17,18)12-7-5-11(6-8-12)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2,(H2,14,17,18)
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3n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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3n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration ...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+
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3.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration ...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143769
PNG
(CHEMBL3760099)
Show SMILES NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1
Show InChI InChI=1S/C13H13BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
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3.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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3.40n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration ...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143601
PNG
(CHEMBL3759307)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C20H20N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2,(H2,21,23,24)
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3.5n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50082759
PNG
(CHEMBL3423268)
Show SMILES CN(C)c1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H23N3O2S/c1-20(2)16-7-3-15(4-8-16)13-19-12-11-14-5-9-17(10-6-14)23(18,21)22/h3-10,19H,11-13H2,1-2H3,(H2,18,21,22)
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3.5n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration ...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50082762
PNG
(CHEMBL3423261)
Show SMILES Cc1cccc(CNCCc2ccc(cc2)S(N)(=O)=O)c1O
Show InChI InChI=1S/C16H20N2O3S/c1-12-3-2-4-14(16(12)19)11-18-10-9-13-5-7-15(8-6-13)22(17,20)21/h2-8,18-19H,9-11H2,1H3,(H2,17,20,21)
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3.70n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50157955
PNG
(2-(4-Methyl-piperidin-1-yl)-N-(5-sulfamoyl-[1,3,4]...)
Show SMILES CC1CCN(CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C10H17N5O3S2/c1-7-2-4-15(5-3-7)6-8(16)12-9-13-14-10(19-9)20(11,17)18/h7H,2-6H2,1H3,(H2,11,17,18)(H,12,13,16)
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3.80n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50082760
PNG
(CHEMBL3423259)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccccc2O)cc1
Show InChI InChI=1S/C15H18N2O3S/c16-21(19,20)14-7-5-12(6-8-14)9-10-17-11-13-3-1-2-4-15(13)18/h1-8,17-18H,9-11H2,(H2,16,19,20)
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3.90n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50082758
PNG
(CHEMBL3423267)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C15H16Cl2N2O3S/c16-12-7-11(15(20)14(17)8-12)9-19-6-5-10-1-3-13(4-2-10)23(18,21)22/h1-4,7-8,19-20H,5-6,9H2,(H2,18,21,22)
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4.10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50082761
PNG
(CHEMBL3423260)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2cc(Br)cc(Br)c2O)cc1
Show InChI InChI=1S/C15H16Br2N2O3S/c16-12-7-11(15(20)14(17)8-12)9-19-6-5-10-1-3-13(4-2-10)23(18,21)22/h1-4,7-8,19-20H,5-6,9H2,(H2,18,21,22)
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4.10n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50082767
PNG
(CHEMBL3423266)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H24N2O3S/c23-28(25,26)22-12-8-18(9-13-22)14-15-24-16-19-6-10-21(11-7-19)27-17-20-4-2-1-3-5-20/h1-13,24H,14-17H2,(H2,23,25,26)
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4.20n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic form of carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013771
PNG
(CHEMBL3264980)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccccc2)cc1
Show InChI InChI=1S/C15H18N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H2,16,18,19)
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4.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic form of carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013771
PNG
(CHEMBL3264980)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccccc2)cc1
Show InChI InChI=1S/C15H18N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H2,16,18,19)
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4.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50082763
PNG
(CHEMBL3423262)
Show SMILES COc1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N2O3S/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,18H,10-12H2,1H3,(H2,17,19,20)
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PubMed
4.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50082764
PNG
(CHEMBL3423263)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2cc(Br)ccc2O)cc1
Show InChI InChI=1S/C15H17BrN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21)
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PubMed
4.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50082765
PNG
(CHEMBL3423264)
Show SMILES Cc1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N2O2S/c1-13-2-4-15(5-3-13)12-18-11-10-14-6-8-16(9-7-14)21(17,19)20/h2-9,18H,10-12H2,1H3,(H2,17,19,20)
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4.5n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic form of carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50082765
PNG
(CHEMBL3423264)
Show SMILES Cc1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N2O2S/c1-13-2-4-15(5-3-13)12-18-11-10-14-6-8-16(9-7-14)21(17,19)20/h2-9,18H,10-12H2,1H3,(H2,17,19,20)
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4.60n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic form of carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50082763
PNG
(CHEMBL3423262)
Show SMILES COc1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N2O3S/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,18H,10-12H2,1H3,(H2,17,19,20)
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4.60n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic form of carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50082760
PNG
(CHEMBL3423259)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccccc2O)cc1
Show InChI InChI=1S/C15H18N2O3S/c16-21(19,20)14-7-5-12(6-8-14)9-10-17-11-13-3-1-2-4-15(13)18/h1-8,17-18H,9-11H2,(H2,16,19,20)
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5.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic form of carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50082765
PNG
(CHEMBL3423264)
Show SMILES Cc1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N2O2S/c1-13-2-4-15(5-3-13)12-18-11-10-14-6-8-16(9-7-14)21(17,19)20/h2-9,18H,10-12H2,1H3,(H2,17,19,20)
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5.70n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration ...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
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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6n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 982-8 (2016)


Article DOI: 10.1016/j.bmc.2016.01.020
BindingDB Entry DOI: 10.7270/Q2KK9DNN
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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6n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration ...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50013771
PNG
(CHEMBL3264980)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccccc2)cc1
Show InChI InChI=1S/C15H18N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H2,16,18,19)
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PubMed
6.30n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration ...


Bioorg Med Chem Lett 25: 2377-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.007
BindingDB Entry DOI: 10.7270/Q20G3MWP
More data for this
Ligand-Target Pair
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