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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50035357   
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 1


(Homo sapiens (Human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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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 cloned isoenzyme carbonic anhydrase II (hCA II) by esterase method


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124177
PNG
(CHEMBL167179 | N-[4-(trifluoromethyl)phenyl]sulfam...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C7H7F3N2O2S/c8-7(9,10)5-1-3-6(4-2-5)12-15(11,13)14/h1-4,12H,(H2,11,13,14)
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124177
PNG
(CHEMBL167179 | N-[4-(trifluoromethyl)phenyl]sulfam...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C7H7F3N2O2S/c8-7(9,10)5-1-3-6(4-2-5)12-15(11,13)14/h1-4,12H,(H2,11,13,14)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124171
PNG
(4-methoxyphenylsulfamide | CHEMBL165878 | N-(4-met...)
Show SMILES COc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H10N2O3S/c1-12-7-4-2-6(3-5-7)9-13(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124175
PNG
(CHEMBL353767 | N-(4-hydroxyphenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C6H8N2O3S/c7-12(10,11)8-5-1-3-6(9)4-2-5/h1-4,8-9H,(H2,7,10,11)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
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
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124170
PNG
(CHEMBL168514 | N-phenylsulfamide | PHENYLSULFAMIDE)
Show SMILES NS(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C6H8N2O2S/c7-11(9,10)8-6-4-2-1-3-5-6/h1-5,8H,(H2,7,9,10)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124163
PNG
(CHEMBL168511 | N-(4-methylphenyl)sulfamide)
Show SMILES Cc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)9-12(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124170
PNG
(CHEMBL168514 | N-phenylsulfamide | PHENYLSULFAMIDE)
Show SMILES NS(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C6H8N2O2S/c7-11(9,10)8-6-4-2-1-3-5-6/h1-5,8H,(H2,7,9,10)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124157
PNG
(4-nitrophenylsulfamide | CHEMBL168778 | N-(4-nitro...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H7N3O4S/c7-14(12,13)8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,(H2,7,12,13)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
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)
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124171
PNG
(4-methoxyphenylsulfamide | CHEMBL165878 | N-(4-met...)
Show SMILES COc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H10N2O3S/c1-12-7-4-2-6(3-5-7)9-13(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124155
PNG
(CHEMBL167048 | N-(4-chlorophenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C6H7ClN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124163
PNG
(CHEMBL168511 | N-(4-methylphenyl)sulfamide)
Show SMILES Cc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)9-12(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124179
PNG
(CHEMBL166340 | N-(4-cyanophenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C7H7N3O2S/c8-5-6-1-3-7(4-2-6)10-13(9,11)12/h1-4,10H,(H2,9,11,12)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124175
PNG
(CHEMBL353767 | N-(4-hydroxyphenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C6H8N2O3S/c7-12(10,11)8-5-1-3-6(9)4-2-5/h1-4,8-9H,(H2,7,10,11)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124159
PNG
(CHEMBL166446 | N-(4-iodophenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1ccc(I)cc1
Show InChI InChI=1S/C6H7IN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124162
PNG
(CHEMBL354323 | N-[4-(dimethylamino)phenyl]sulfamid...)
Show SMILES CN(C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C8H13N3O2S/c1-11(2)8-5-3-7(4-6-8)10-14(9,12)13/h3-6,10H,1-2H3,(H2,9,12,13)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124159
PNG
(CHEMBL166446 | N-(4-iodophenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1ccc(I)cc1
Show InChI InChI=1S/C6H7IN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124157
PNG
(4-nitrophenylsulfamide | CHEMBL168778 | N-(4-nitro...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H7N3O4S/c7-14(12,13)8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,(H2,7,12,13)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124155
PNG
(CHEMBL167048 | N-(4-chlorophenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C6H7ClN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124158
PNG
(CHEMBL166708 | ethyl 4-[(aminosulfonyl)amino]benzo...)
Show SMILES CCOC(=O)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C9H12N2O4S/c1-2-15-9(12)7-3-5-8(6-4-7)11-16(10,13)14/h3-6,11H,2H2,1H3,(H2,10,13,14)
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124179
PNG
(CHEMBL166340 | N-(4-cyanophenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C7H7N3O2S/c8-5-6-1-3-7(4-2-6)10-13(9,11)12/h1-4,10H,(H2,9,11,12)
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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 cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124162
PNG
(CHEMBL354323 | N-[4-(dimethylamino)phenyl]sulfamid...)
Show SMILES CN(C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C8H13N3O2S/c1-11(2)8-5-3-7(4-6-8)10-14(9,12)13/h3-6,10H,1-2H3,(H2,9,12,13)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124178
PNG
(CHEMBL166686 | N-(4-bromophenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C6H7BrN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124178
PNG
(CHEMBL166686 | N-(4-bromophenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C6H7BrN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124158
PNG
(CHEMBL166708 | ethyl 4-[(aminosulfonyl)amino]benzo...)
Show SMILES CCOC(=O)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C9H12N2O4S/c1-2-15-9(12)7-3-5-8(6-4-7)11-16(10,13)14/h3-6,11H,2H2,1H3,(H2,10,13,14)
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26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124174
PNG
(CHEMBL444608 | N-[2-({2-[(aminosulfonyl)amino]ethy...)
Show SMILES NS(=O)(=O)NCCSSCCNS(N)(=O)=O
Show InChI InChI=1S/C4H14N4O4S4/c5-15(9,10)7-1-3-13-14-4-2-8-16(6,11)12/h7-8H,1-4H2,(H2,5,9,10)(H2,6,11,12)
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124165
PNG
(CHEMBL169486 | N-(pentafluorophenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C6H3F5N2O2S/c7-1-2(8)4(10)6(5(11)3(1)9)13-16(12,14)15/h13H,(H2,12,14,15)
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32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124165
PNG
(CHEMBL169486 | N-(pentafluorophenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C6H3F5N2O2S/c7-1-2(8)4(10)6(5(11)3(1)9)13-16(12,14)15/h13H,(H2,12,14,15)
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34n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124167
PNG
(CHEMBL168910 | N-2-naphthylsulfamide)
Show SMILES NS(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C10H10N2O2S/c11-15(13,14)12-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H,(H2,11,13,14)
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36n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124167
PNG
(CHEMBL168910 | N-2-naphthylsulfamide)
Show SMILES NS(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C10H10N2O2S/c11-15(13,14)12-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12H,(H2,11,13,14)
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39n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124156
PNG
(CHEMBL168898 | N-(3-benzoylphenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)15-12-8-4-7-11(9-12)13(16)10-5-2-1-3-6-10/h1-9,15H,(H2,14,17,18)
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49n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124156
PNG
(CHEMBL168898 | N-(3-benzoylphenyl)sulfamide)
Show SMILES NS(=O)(=O)Nc1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)15-12-8-4-7-11(9-12)13(16)10-5-2-1-3-6-10/h1-9,15H,(H2,14,17,18)
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62n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
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123n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124172
PNG
(CHEMBL165939 | azepane-1-sulfonamide)
Show SMILES NS(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C6H14N2O2S/c7-11(9,10)8-5-3-1-2-4-6-8/h1-6H2,(H2,7,9,10)
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131n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
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133n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124176
PNG
(CHEMBL169370 | piperidine-1-sulfonamide)
Show SMILES NS(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C5H12N2O2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H2,6,8,9)
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148n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124166
PNG
(CHEMBL170015 | N-butylsulfamide)
Show SMILES CCCCNS(N)(=O)=O
Show InChI InChI=1S/C4H12N2O2S/c1-2-3-4-6-9(5,7)8/h6H,2-4H2,1H3,(H2,5,7,8)
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148n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124174
PNG
(CHEMBL444608 | N-[2-({2-[(aminosulfonyl)amino]ethy...)
Show SMILES NS(=O)(=O)NCCSSCCNS(N)(=O)=O
Show InChI InChI=1S/C4H14N4O4S4/c5-15(9,10)7-1-3-13-14-4-2-8-16(6,11)12/h7-8H,1-4H2,(H2,5,9,10)(H2,6,11,12)
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149n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124176
PNG
(CHEMBL169370 | piperidine-1-sulfonamide)
Show SMILES NS(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C5H12N2O2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H2,6,8,9)
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155n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124172
PNG
(CHEMBL165939 | azepane-1-sulfonamide)
Show SMILES NS(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C6H14N2O2S/c7-11(9,10)8-5-3-1-2-4-6-8/h1-6H2,(H2,7,9,10)
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163n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124160
PNG
(CHEMBL352592 | N-cyclohexylsulfamide)
Show SMILES NS(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C6H14N2O2S/c7-11(9,10)8-6-4-2-1-3-5-6/h6,8H,1-5H2,(H2,7,9,10)
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164n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124166
PNG
(CHEMBL170015 | N-butylsulfamide)
Show SMILES CCCCNS(N)(=O)=O
Show InChI InChI=1S/C4H12N2O2S/c1-2-3-4-6-9(5,7)8/h6H,2-4H2,1H3,(H2,5,7,8)
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173n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124160
PNG
(CHEMBL352592 | N-cyclohexylsulfamide)
Show SMILES NS(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C6H14N2O2S/c7-11(9,10)8-6-4-2-1-3-5-6/h6,8H,1-5H2,(H2,7,9,10)
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450n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124168
PNG
(CHEMBL355349 | N,N-dibenzylsulfamide)
Show SMILES NS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c15-19(17,18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,15,17,18)
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647n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.


Bioorg Med Chem Lett 13: 837-40 (2003)


BindingDB Entry DOI: 10.7270/Q2GB24MW
More data for this
Ligand-Target Pair
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