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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50033948   
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))
BDBM50354404
PNG
(CHEMBL1836407)
Show SMILES NS(=O)(=O)c1cccc(c1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FNO2S/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)19(16,17)18/h1-6,9-10H,(H2,16,17,18)
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1n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50354402
PNG
(CHEMBL1836405)
Show SMILES Cc1ccc(cc1)C#Cc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO2S/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)19(16,17)18/h2-8,11H,1H3,(H2,16,17,18)
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1.10n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354398
PNG
(CHEMBL1836401)
Show SMILES COc1cccc(c1)C#Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-4,7-11H,1H3,(H2,16,17,18)
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1.20n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354401
PNG
(CHEMBL1836404)
Show SMILES NS(=O)(=O)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11NO2S/c15-18(16,17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,(H2,15,16,17)
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1.30n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50354399
PNG
(CHEMBL1836402)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1cccc(O)c1
Show InChI InChI=1S/C14H11NO3S/c15-19(17,18)14-8-6-11(7-9-14)4-5-12-2-1-3-13(16)10-12/h1-3,6-10,16H,(H2,15,17,18)
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1.60n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50354403
PNG
(CHEMBL1836406)
Show SMILES COc1cccc(c1)C#Cc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO3S/c1-19-14-6-2-4-12(10-14)8-9-13-5-3-7-15(11-13)20(16,17)18/h2-7,10-11H,1H3,(H2,16,17,18)
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1.70n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
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



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50354400
PNG
(CHEMBL1836403)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FNO2S/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)19(16,17)18/h1-3,6-10H,(H2,16,17,18)
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5.80n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50354398
PNG
(CHEMBL1836401)
Show SMILES COc1cccc(c1)C#Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-4,7-11H,1H3,(H2,16,17,18)
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6.5n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50354401
PNG
(CHEMBL1836404)
Show SMILES NS(=O)(=O)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11NO2S/c15-18(16,17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,(H2,15,16,17)
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6.90n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354403
PNG
(CHEMBL1836406)
Show SMILES COc1cccc(c1)C#Cc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO3S/c1-19-14-6-2-4-12(10-14)8-9-13-5-3-7-15(11-13)20(16,17)18/h2-7,10-11H,1H3,(H2,16,17,18)
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9.20n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354396
PNG
(CHEMBL1836399)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11NO2S/c15-18(16,17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H2,15,16,17)
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9.40n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354405
PNG
(CHEMBL1836408)
Show SMILES NS(=O)(=O)c1ccccc1C#Cc1ccccc1
Show InChI InChI=1S/C14H11NO2S/c15-18(16,17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H2,15,16,17)
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10n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354407
PNG
(CHEMBL1836410)
Show SMILES NS(=O)(=O)c1ccccc1C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FNO2S/c15-13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)19(16,17)18/h1-7,10H,(H2,16,17,18)
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12n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
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



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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13n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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16n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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18n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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21n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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27n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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37n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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38n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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43n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354404
PNG
(CHEMBL1836407)
Show SMILES NS(=O)(=O)c1cccc(c1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FNO2S/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)19(16,17)18/h1-6,9-10H,(H2,16,17,18)
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57n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50354400
PNG
(CHEMBL1836403)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FNO2S/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)19(16,17)18/h1-3,6-10H,(H2,16,17,18)
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57n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354399
PNG
(CHEMBL1836402)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1cccc(O)c1
Show InChI InChI=1S/C14H11NO3S/c15-19(17,18)14-8-6-11(7-9-14)4-5-12-2-1-3-13(16)10-12/h1-3,6-10,16H,(H2,15,17,18)
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59n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50354401
PNG
(CHEMBL1836404)
Show SMILES NS(=O)(=O)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11NO2S/c15-18(16,17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,(H2,15,16,17)
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59n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50354400
PNG
(CHEMBL1836403)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FNO2S/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)19(16,17)18/h1-3,6-10H,(H2,16,17,18)
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62n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50354397
PNG
(CHEMBL1836400)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO2S/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)19(16,17)18/h2-5,8-11H,1H3,(H2,16,17,18)
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68n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50354396
PNG
(CHEMBL1836399)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11NO2S/c15-18(16,17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H2,15,16,17)
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69n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50354403
PNG
(CHEMBL1836406)
Show SMILES COc1cccc(c1)C#Cc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO3S/c1-19-14-6-2-4-12(10-14)8-9-13-5-3-7-15(11-13)20(16,17)18/h2-7,10-11H,1H3,(H2,16,17,18)
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76n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354400
PNG
(CHEMBL1836403)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FNO2S/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)19(16,17)18/h1-3,6-10H,(H2,16,17,18)
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76n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50354398
PNG
(CHEMBL1836401)
Show SMILES COc1cccc(c1)C#Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-4,7-11H,1H3,(H2,16,17,18)
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78n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50354404
PNG
(CHEMBL1836407)
Show SMILES NS(=O)(=O)c1cccc(c1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FNO2S/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)19(16,17)18/h1-6,9-10H,(H2,16,17,18)
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78n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354406
PNG
(CHEMBL1836409)
Show SMILES Cc1ccc(cc1)C#Cc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C15H13NO2S/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)19(16,17)18/h2-9H,1H3,(H2,16,17,18)
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86n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50354399
PNG
(CHEMBL1836402)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1cccc(O)c1
Show InChI InChI=1S/C14H11NO3S/c15-19(17,18)14-8-6-11(7-9-14)4-5-12-2-1-3-13(16)10-12/h1-3,6-10,16H,(H2,15,17,18)
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87n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50354401
PNG
(CHEMBL1836404)
Show SMILES NS(=O)(=O)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11NO2S/c15-18(16,17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,(H2,15,16,17)
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87n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50354402
PNG
(CHEMBL1836405)
Show SMILES Cc1ccc(cc1)C#Cc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO2S/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)19(16,17)18/h2-8,11H,1H3,(H2,16,17,18)
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102n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354397
PNG
(CHEMBL1836400)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO2S/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)19(16,17)18/h2-5,8-11H,1H3,(H2,16,17,18)
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104n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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240n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(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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250n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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294n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50354402
PNG
(CHEMBL1836405)
Show SMILES Cc1ccc(cc1)C#Cc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO2S/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)19(16,17)18/h2-8,11H,1H3,(H2,16,17,18)
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410n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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1.20E+3n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50354402
PNG
(CHEMBL1836405)
Show SMILES Cc1ccc(cc1)C#Cc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H13NO2S/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)19(16,17)18/h2-8,11H,1H3,(H2,16,17,18)
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1.71E+3n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50354404
PNG
(CHEMBL1836407)
Show SMILES NS(=O)(=O)c1cccc(c1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FNO2S/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(10-12)19(16,17)18/h1-6,9-10H,(H2,16,17,18)
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2.14E+3n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50354407
PNG
(CHEMBL1836410)
Show SMILES NS(=O)(=O)c1ccccc1C#Cc1cccc(F)c1
Show InChI InChI=1S/C14H10FNO2S/c15-13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)19(16,17)18/h1-7,10H,(H2,16,17,18)
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4.13E+3n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5892-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.090
BindingDB Entry DOI: 10.7270/Q2Z60PFG
More data for this
Ligand-Target Pair
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