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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50044350   
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))
BDBM50299301
PNG
(4-(2-hydroxy-5-methoxybenzylideneamino)benzenesulf...)
Show SMILES COc1ccc(O)c(\C=N\c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C14H14N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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7n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299302
PNG
(4-((benzylideneamino)methyl)benzenesulfonamide | C...)
Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O2S/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-10H,11H2,(H2,15,17,18)/b16-10+
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7.10n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013773
PNG
(CHEMBL3264982)
Show SMILES CC(C)(C)c1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C19H26N2O2S/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(11-7-15)24(20,22)23/h4-11,21H,12-14H2,1-3H3,(H2,20,22,23)
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8.60n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299305
PNG
(4-((2-hydroxy-5-methoxybenzylideneamino)methyl)ben...)
Show SMILES COc1ccc(O)c(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20/h2-8,10,18H,9H2,1H3,(H2,16,19,20)/b17-10+
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9.40n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013762
PNG
(CHEMBL3264975)
Show SMILES Cl.NS(=O)(=O)c1ccc(\C=N\Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H14N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,10,17H,9H2,(H2,15,18,19);1H/b16-10+;
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10n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299303
PNG
(4-((4-tert-butylbenzylideneamino)methyl)benzenesul...)
Show SMILES CC(C)(C)c1ccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N2O2S/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22/h4-12H,13H2,1-3H3,(H2,19,21,22)/b20-12+
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11n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013770
PNG
(CHEMBL3264979)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,16,18,19)/b17-12+
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11n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013772
PNG
(CHEMBL3264981)
Show SMILES CC(C)(C)c1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C19H24N2O2S/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(11-7-15)24(20,22)23/h4-11,14H,12-13H2,1-3H3,(H2,20,22,23)/b21-14+
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11n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50229571
PNG
(4-(4-hydroxy-benzylideneamino)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)13-7-3-11(4-8-13)15-9-10-1-5-12(16)6-2-10/h1-9,16H,(H2,14,17,18)/b15-9+
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11n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
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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12n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013777
PNG
(CHEMBL3264985)
Show SMILES COc1ccc(O)c(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H18N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+
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13n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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14n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013790
PNG
(CHEMBL3264968)
Show SMILES CC(C)(C)c1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H22N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-11,19H,12H2,1-3H3,(H2,18,20,21)
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19n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
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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21n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013759
PNG
(CHEMBL3264974)
Show SMILES CC(C)(C)c1ccc(CNCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C18H24N2O2S.ClH/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22;/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22);1H
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24n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013757
PNG
(CHEMBL3264970)
Show SMILES COc1ccc(O)c(CNc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C14H16N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
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24n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013759
PNG
(CHEMBL3264974)
Show SMILES CC(C)(C)c1ccc(CNCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C18H24N2O2S.ClH/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22;/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22);1H
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26n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013791
PNG
(CHEMBL3264969)
Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C13H14N2O3S/c14-19(17,18)13-7-3-11(4-8-13)15-9-10-1-5-12(16)6-2-10/h1-8,15-16H,9H2,(H2,14,17,18)
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29n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013758
PNG
(CHEMBL3264972)
Show SMILES NS(=O)(=O)c1ccc(CNCc2ccccc2)cc1
Show InChI InChI=1S/C14H16N2O2S.ClH/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;/h1-9,16H,10-11H2,(H2,15,17,18);1H
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30n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013790
PNG
(CHEMBL3264968)
Show SMILES CC(C)(C)c1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H22N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-11,19H,12H2,1-3H3,(H2,18,20,21)
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32n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
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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38n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013758
PNG
(CHEMBL3264972)
Show SMILES NS(=O)(=O)c1ccc(CNCc2ccccc2)cc1
Show InChI InChI=1S/C14H16N2O2S.ClH/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;/h1-9,16H,10-11H2,(H2,15,17,18);1H
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39n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013774
PNG
(CHEMBL3264983)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)15-7-3-12(4-8-15)9-10-17-11-13-1-5-14(18)6-2-13/h1-8,11,18H,9-10H2,(H2,16,19,20)/b17-11+
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43n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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50n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013773
PNG
(CHEMBL3264982)
Show SMILES CC(C)(C)c1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C19H26N2O2S/c1-19(2,3)17-8-4-16(5-9-17)14-21-13-12-15-6-10-18(11-7-15)24(20,22)23/h4-11,21H,12-14H2,1-3H3,(H2,20,22,23)
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50n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013778
PNG
(CHEMBL3264986)
Show SMILES COc1ccc(O)c(CNCCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H20N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10,18-19H,8-9,11H2,1H3,(H2,17,20,21)
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52n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013767
PNG
(CHEMBL3264978)
Show SMILES Cl.COc1ccc(O)c(CNCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C15H18N2O4S.ClH/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20;/h2-8,17-18H,9-10H2,1H3,(H2,16,19,20);1H
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52n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50299301
PNG
(4-(2-hydroxy-5-methoxybenzylideneamino)benzenesulf...)
Show SMILES COc1ccc(O)c(\C=N\c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C14H14N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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52n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013778
PNG
(CHEMBL3264986)
Show SMILES COc1ccc(O)c(CNCCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H20N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10,18-19H,8-9,11H2,1H3,(H2,17,20,21)
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56n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013779
PNG
(4-Benzylamino-Benzoic Acid | CHEMBL32051)
Show SMILES OC(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
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57n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013765
PNG
(CHEMBL3264976)
Show SMILES Cl.NS(=O)(=O)c1ccc(CNCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H16N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,16-17H,9-10H2,(H2,15,18,19);1H
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60n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
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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62n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013777
PNG
(CHEMBL3264985)
Show SMILES COc1ccc(O)c(\C=N\CCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H18N2O4S/c1-22-14-4-7-16(19)13(10-14)11-18-9-8-12-2-5-15(6-3-12)23(17,20)21/h2-7,10-11,19H,8-9H2,1H3,(H2,17,20,21)/b18-11+
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70n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50299303
PNG
(4-((4-tert-butylbenzylideneamino)methyl)benzenesul...)
Show SMILES CC(C)(C)c1ccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N2O2S/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22/h4-12H,13H2,1-3H3,(H2,19,21,22)/b20-12+
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72n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013762
PNG
(CHEMBL3264975)
Show SMILES Cl.NS(=O)(=O)c1ccc(\C=N\Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H14N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,10,17H,9H2,(H2,15,18,19);1H/b16-10+;
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76n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299300
PNG
(4-(4-tert-butylbenzylideneamino)benzenesulfonamide...)
Show SMILES CC(C)(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-12H,1-3H3,(H2,18,20,21)/b19-12+
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78n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013765
PNG
(CHEMBL3264976)
Show SMILES Cl.NS(=O)(=O)c1ccc(CNCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H16N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,16-17H,9-10H2,(H2,15,18,19);1H
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80n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50229571
PNG
(4-(4-hydroxy-benzylideneamino)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)13-7-3-11(4-8-13)15-9-10-1-5-12(16)6-2-10/h1-9,16H,(H2,14,17,18)/b15-9+
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80n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50299300
PNG
(4-(4-tert-butylbenzylideneamino)benzenesulfonamide...)
Show SMILES CC(C)(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-12H,1-3H3,(H2,18,20,21)/b19-12+
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85n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013757
PNG
(CHEMBL3264970)
Show SMILES COc1ccc(O)c(CNc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C14H16N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
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87n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013776
PNG
(CHEMBL3264984)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H18N2O3S/c16-21(19,20)15-7-3-12(4-8-15)9-10-17-11-13-1-5-14(18)6-2-13/h1-8,17-18H,9-11H2,(H2,16,19,20)
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92n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50299305
PNG
(4-((2-hydroxy-5-methoxybenzylideneamino)methyl)ben...)
Show SMILES COc1ccc(O)c(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20/h2-8,10,18H,9H2,1H3,(H2,16,19,20)/b17-10+
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92n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50299302
PNG
(4-((benzylideneamino)methyl)benzenesulfonamide | C...)
Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O2S/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-10H,11H2,(H2,15,17,18)/b16-10+
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93n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50229543
PNG
(4-(benzylideneamino)benzenesulfonamide | 4-benzyli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1
Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)/b15-10+
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105n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013774
PNG
(CHEMBL3264983)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)15-7-3-12(4-8-15)9-10-17-11-13-1-5-14(18)6-2-13/h1-8,11,18H,9-10H2,(H2,16,19,20)/b17-11+
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105n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50013781
PNG
(CHEMBL3264962)
Show SMILES OC(=O)c1ccc(NCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H13NO3/c16-13-7-1-10(2-8-13)9-15-12-5-3-11(4-6-12)14(17)18/h1-8,15-16H,9H2,(H,17,18)
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116n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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117n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013779
PNG
(4-Benzylamino-Benzoic Acid | CHEMBL32051)
Show SMILES OC(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
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123n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013767
PNG
(CHEMBL3264978)
Show SMILES Cl.COc1ccc(O)c(CNCc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C15H18N2O4S.ClH/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20;/h2-8,17-18H,9-10H2,1H3,(H2,16,19,20);1H
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131n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50013785
PNG
(CHEMBL3264966)
Show SMILES COC(=O)c1ccc(NCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H15NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-9,16-17H,10H2,1H3
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142n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay


Bioorg Med Chem 22: 2867-74 (2014)


Article DOI: 10.1016/j.bmc.2014.03.041
BindingDB Entry DOI: 10.7270/Q27D2WPD
More data for this
Ligand-Target Pair
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