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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50047936   
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))
BDBM50197809
PNG
(CHEMBL3908714)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22)
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0.830n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197818
PNG
(CHEMBL3944032)
Show SMILES COc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-4-6-15(7-5-14)24-11-12-10-20(19-18-12)13-2-8-16(9-3-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197816
PNG
(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197810
PNG
(CHEMBL3899660)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22)
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197809
PNG
(CHEMBL3908714)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22)
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197821
PNG
(CHEMBL3909323)
Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197816
PNG
(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197815
PNG
(CHEMBL3917661)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21)
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197815
PNG
(CHEMBL3917661)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21)
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197813
PNG
(CHEMBL3973519)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2cccnc2)nn1
Show InChI InChI=1S/C14H13N5O3S/c15-23(20,21)14-5-3-12(4-6-14)19-9-11(17-18-19)10-22-13-2-1-7-16-8-13/h1-9H,10H2,(H2,15,20,21)
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1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197811
PNG
(CHEMBL3936646)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O2S2/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
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1.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197819
PNG
(CHEMBL3979541)
Show SMILES Cc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O3S/c1-12-3-2-4-15(9-12)23-11-13-10-20(19-18-13)14-5-7-16(8-6-14)24(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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1.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197821
PNG
(CHEMBL3909323)
Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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1.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197816
PNG
(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
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2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197809
PNG
(CHEMBL3908714)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22)
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2.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197819
PNG
(CHEMBL3979541)
Show SMILES Cc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O3S/c1-12-3-2-4-15(9-12)23-11-13-10-20(19-18-13)14-5-7-16(8-6-14)24(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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2.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197811
PNG
(CHEMBL3936646)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O2S2/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197815
PNG
(CHEMBL3917661)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21)
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2.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197814
PNG
(CHEMBL3890688)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13FN4O3S/c16-11-1-3-13(4-2-11)20-9-12(18-19-20)10-23-14-5-7-15(8-6-14)24(17,21)22/h1-9H,10H2,(H2,17,21,22)
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2.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197814
PNG
(CHEMBL3890688)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13FN4O3S/c16-11-1-3-13(4-2-11)20-9-12(18-19-20)10-23-14-5-7-15(8-6-14)24(17,21)22/h1-9H,10H2,(H2,17,21,22)
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3.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197818
PNG
(CHEMBL3944032)
Show SMILES COc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-4-6-15(7-5-14)24-11-12-10-20(19-18-12)13-2-8-16(9-3-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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4.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197812
PNG
(CHEMBL3949320)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O3S/c17-16(18,19)11-1-3-13(4-2-11)23-9-12(21-22-23)10-26-14-5-7-15(8-6-14)27(20,24)25/h1-9H,10H2,(H2,20,24,25)
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4.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197811
PNG
(CHEMBL3936646)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O2S2/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
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4.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197819
PNG
(CHEMBL3979541)
Show SMILES Cc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O3S/c1-12-3-2-4-15(9-12)23-11-13-10-20(19-18-13)14-5-7-16(8-6-14)24(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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5.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50262062
PNG
(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197813
PNG
(CHEMBL3973519)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2cccnc2)nn1
Show InChI InChI=1S/C14H13N5O3S/c15-23(20,21)14-5-3-12(4-6-14)19-9-11(17-18-19)10-22-13-2-1-7-16-8-13/h1-9H,10H2,(H2,15,20,21)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197810
PNG
(CHEMBL3899660)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22)
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7.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197809
PNG
(CHEMBL3908714)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197821
PNG
(CHEMBL3909323)
Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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9.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197820
PNG
(CHEMBL3933768)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CN(Cc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C24H23N9O4S2/c25-38(34,35)23-10-6-21(7-11-23)32-16-18(27-29-32)14-31(20-4-2-1-3-5-20)15-19-17-33(30-28-19)22-8-12-24(13-9-22)39(26,36)37/h1-13,16-17H,14-15H2,(H2,25,34,35)(H2,26,36,37)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197817
PNG
(CHEMBL3918758)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197820
PNG
(CHEMBL3933768)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CN(Cc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C24H23N9O4S2/c25-38(34,35)23-10-6-21(7-11-23)32-16-18(27-29-32)14-31(20-4-2-1-3-5-20)15-19-17-33(30-28-19)22-8-12-24(13-9-22)39(26,36)37/h1-13,16-17H,14-15H2,(H2,25,34,35)(H2,26,36,37)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197818
PNG
(CHEMBL3944032)
Show SMILES COc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-4-6-15(7-5-14)24-11-12-10-20(19-18-12)13-2-8-16(9-3-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50197812
PNG
(CHEMBL3949320)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O3S/c17-16(18,19)11-1-3-13(4-2-11)23-9-12(21-22-23)10-26-14-5-7-15(8-6-14)27(20,24)25/h1-9H,10H2,(H2,20,24,25)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197814
PNG
(CHEMBL3890688)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13FN4O3S/c16-11-1-3-13(4-2-11)20-9-12(18-19-20)10-23-14-5-7-15(8-6-14)24(17,21)22/h1-9H,10H2,(H2,17,21,22)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197813
PNG
(CHEMBL3973519)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2cccnc2)nn1
Show InChI InChI=1S/C14H13N5O3S/c15-23(20,21)14-5-3-12(4-6-14)19-9-11(17-18-19)10-22-13-2-1-7-16-8-13/h1-9H,10H2,(H2,15,20,21)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197810
PNG
(CHEMBL3899660)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22)
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197817
PNG
(CHEMBL3918758)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197812
PNG
(CHEMBL3949320)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O3S/c17-16(18,19)11-1-3-13(4-2-11)23-9-12(21-22-23)10-26-14-5-7-15(8-6-14)27(20,24)25/h1-9H,10H2,(H2,20,24,25)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50262062
PNG
(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20)
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26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50262062
PNG
(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20)
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44n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197810
PNG
(CHEMBL3899660)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22)
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93n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50197817
PNG
(CHEMBL3918758)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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102n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197813
PNG
(CHEMBL3973519)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2cccnc2)nn1
Show InChI InChI=1S/C14H13N5O3S/c15-23(20,21)14-5-3-12(4-6-14)19-9-11(17-18-19)10-22-13-2-1-7-16-8-13/h1-9H,10H2,(H2,15,20,21)
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123n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197811
PNG
(CHEMBL3936646)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O2S2/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
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196n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
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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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197817
PNG
(CHEMBL3918758)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
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278n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
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