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PubMed code 27933963

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
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
PDB
MMDB

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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197818
PNG
(CHEMBL3944032)
Show SMILES COc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)cc1
PDB
MMDB

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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
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
PDB
MMDB

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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
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
PDB
MMDB

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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197815
PNG
(CHEMBL3917661)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccccc2)cc1
PDB
MMDB

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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197816
PNG
(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
PDB
MMDB

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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197821
PNG
(CHEMBL3909323)
Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
PDB
MMDB

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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197809
PNG
(CHEMBL3908714)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNc2ccccc2)nn1
PDB
MMDB

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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
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
PDB
MMDB

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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
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
PDB
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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
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
PDB
MMDB

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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
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
PDB
MMDB

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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
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
PDB
MMDB

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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
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
PDB
MMDB

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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
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
PDB
MMDB

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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
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
PDB
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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
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
PDB
MMDB

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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
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
PDB
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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
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
PDB
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197814
PNG
(CHEMBL3890688)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(F)cc2)cc1
PDB
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197812
PNG
(CHEMBL3949320)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)C(F)(F)F)cc1
PDB
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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
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
PDB
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197811
PNG
(CHEMBL3936646)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1
PDB
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197819
PNG
(CHEMBL3979541)
Show SMILES Cc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
PDB
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197813
PNG
(CHEMBL3973519)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2cccnc2)nn1
PDB
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197810
PNG
(CHEMBL3899660)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1
PDB
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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
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
PDB
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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
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
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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
PDB
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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
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
PDB
MMDB

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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
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)
PDB
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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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197818
PNG
(CHEMBL3944032)
Show SMILES COc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)cc1
PDB
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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
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
PDB
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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
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
PDB
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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
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
PDB
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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
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
PDB
MMDB

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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
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
PDB
MMDB

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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
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
PDB
MMDB

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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
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
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
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
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
PDB
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197817
PNG
(CHEMBL3918758)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc(cc2)S(N)(=O)=O)nn1
PDB
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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
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
PDB
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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
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
PDB
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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
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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197817
PNG
(CHEMBL3918758)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc(cc2)S(N)(=O)=O)nn1
PDB
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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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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342n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197816
PNG
(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
PDB
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350n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197821
PNG
(CHEMBL3909323)
Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
PDB
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351n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197819
PNG
(CHEMBL3979541)
Show SMILES Cc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
PDB
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407n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197818
PNG
(CHEMBL3944032)
Show SMILES COc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)cc1
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513n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197815
PNG
(CHEMBL3917661)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccccc2)cc1
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566n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197814
PNG
(CHEMBL3890688)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(F)cc2)cc1
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950n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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
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>1.00E+4n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197812
PNG
(CHEMBL3949320)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)C(F)(F)F)cc1
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>1.00E+4n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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
PDB
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UniChem
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>1.00E+4n/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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%