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PubMed code 12166931

Compile data set for download or QSAR
Found 13 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


(Homo sapiens (human))
BDBM50117111
PNG
(CHEMBL334013 | N-(aminosulfonyl)-2,3,4,5,6-pentafl...)
Show SMILES NS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C6H3F5N2O4S2/c7-1-2(8)4(10)6(5(11)3(1)9)18(14,15)13-19(12,16)17/h13H,(H2,12,16,17)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase I (hCA I)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase II (hCA II)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50117115
PNG
(3-{[(aminosulfonyl)amino]sulfonyl}benzoic acid | C...)
Show SMILES NS(=O)(=O)NS(=O)(=O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C7H8N2O6S2/c8-17(14,15)9-16(12,13)6-3-1-2-5(4-6)7(10)11/h1-4,9H,(H,10,11)(H2,8,14,15)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase I (hCA I)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50117114
PNG
(CHEMBL331072 | {[(4-fluorophenyl)sulfonyl]amino}ca...)
Show SMILES NS(=O)(=O)NC(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C7H8FN3O5S2/c8-5-1-3-6(4-2-5)17(13,14)10-7(12)11-18(9,15)16/h1-4H,(H2,9,15,16)(H2,10,11,12)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase I (hCA I)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50117111
PNG
(CHEMBL334013 | N-(aminosulfonyl)-2,3,4,5,6-pentafl...)
Show SMILES NS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C6H3F5N2O4S2/c7-1-2(8)4(10)6(5(11)3(1)9)18(14,15)13-19(12,16)17/h13H,(H2,12,16,17)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase II (hCA II)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50117115
PNG
(3-{[(aminosulfonyl)amino]sulfonyl}benzoic acid | C...)
Show SMILES NS(=O)(=O)NS(=O)(=O)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C7H8N2O6S2/c8-17(14,15)9-16(12,13)6-3-1-2-5(4-6)7(10)11/h1-4,9H,(H,10,11)(H2,8,14,15)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase II (hCA II)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50117114
PNG
(CHEMBL331072 | {[(4-fluorophenyl)sulfonyl]amino}ca...)
Show SMILES NS(=O)(=O)NC(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C7H8FN3O5S2/c8-5-1-3-6(4-2-5)17(13,14)10-7(12)11-18(9,15)16/h1-4H,(H2,9,15,16)(H2,10,11,12)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase II (hCA II)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50117110
PNG
(CHEMBL118215 | N-{(1Z)-1-[4-(dimethylamino)phenyl]...)
Show SMILES CN(C)c1ccc(cc1)C(C)=NS(N)(=O)=O
Show InChI InChI=1S/C10H15N3O2S/c1-8(12-16(11,14)15)9-4-6-10(7-5-9)13(2)3/h4-7H,1-3H3,(H2,11,14,15)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase II (hCA II)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50117112
PNG
((pentafluorophenyl)sulfonylsulfamic acid | CHEMBL4...)
Show SMILES OS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C6H2F5NO5S2/c7-1-2(8)4(10)6(5(11)3(1)9)18(13,14)12-19(15,16)17/h12H,(H,15,16,17)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase I (hCA I)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50117113
PNG
((4-Fluoro-benzenesulfonylaminocarbonyl)-sulfamic a...)
Show SMILES OS(=O)(=O)NC(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C7H7FN2O6S2/c8-5-1-3-6(4-2-5)17(12,13)9-7(11)10-18(14,15)16/h1-4H,(H2,9,10,11)(H,14,15,16)
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase I (hCA I)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase I (hCA I)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50117113
PNG
((4-Fluoro-benzenesulfonylaminocarbonyl)-sulfamic a...)
Show SMILES OS(=O)(=O)NC(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C7H7FN2O6S2/c8-5-1-3-6(4-2-5)17(12,13)9-7(11)10-18(14,15)16/h1-4H,(H2,9,10,11)(H,14,15,16)
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900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase II (hCA II)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50117112
PNG
((pentafluorophenyl)sulfonylsulfamic acid | CHEMBL4...)
Show SMILES OS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C6H2F5NO5S2/c7-1-2(8)4(10)6(5(11)3(1)9)18(13,14)12-19(15,16)17/h12H,(H,15,16,17)
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase II (hCA II)


J Med Chem 45: 3583-7 (2002)


Article DOI: 10.1021/jm011131t
BindingDB Entry DOI: 10.7270/Q21N81V4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%