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Compile Data Set for Download or QSAR

Found 130 hits Enz. Inhib. hit(s) with all data for entry = 50038056   
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 7


(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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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 6


(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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0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
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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0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(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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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 3


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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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 7


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 7


(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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2.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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
Inhibition of human carbonic anhydrase 12


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50211832
PNG
(4-[(aminocarbonyl)amino]-N-[4-(aminosulfonyl)pheny...)
Show SMILES NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N4O5S2/c14-13(18)16-9-1-7-12(8-2-9)24(21,22)17-10-3-5-11(6-4-10)23(15,19)20/h1-8,17H,(H3,14,16,18)(H2,15,19,20)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50211830
PNG
(5-[3-(3,4-dichloro-phenyl)-ureido]-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C9H7Cl2N5O3S2/c10-5-2-1-4(3-6(5)11)13-7(17)14-8-15-16-9(20-8)21(12,18)19/h1-3H,(H2,12,18,19)(H2,13,14,15,17)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 3


(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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3.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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3.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
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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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50211824
PNG
(3-[({4-[(aminocarbonyl)amino]phenyl}sulfonyl)amino...)
Show SMILES NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N4O5S2/c14-13(18)16-9-4-6-11(7-5-9)24(21,22)17-10-2-1-3-12(8-10)23(15,19)20/h1-8,17H,(H3,14,16,18)(H2,15,19,20)
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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


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50211837
PNG
(2-[(1E)-{[2-(4-sulfamoylphenyl)ethyl]imino}methyl]...)
Show SMILES NS(=O)(=O)c1ccc(CCN=Cc2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1 |w:11.11|
Show InChI InChI=1S/C22H21N3O6S2/c23-32(27,28)19-12-10-17(11-13-19)14-15-24-16-18-6-4-5-9-21(18)31-22(26)25-33(29,30)20-7-2-1-3-8-20/h1-13,16H,14-15H2,(H,25,26)(H2,23,27,28)
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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


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211837
PNG
(2-[(1E)-{[2-(4-sulfamoylphenyl)ethyl]imino}methyl]...)
Show SMILES NS(=O)(=O)c1ccc(CCN=Cc2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1 |w:11.11|
Show InChI InChI=1S/C22H21N3O6S2/c23-32(27,28)19-12-10-17(11-13-19)14-15-24-16-18-6-4-5-9-21(18)31-22(26)25-33(29,30)20-7-2-1-3-8-20/h1-13,16H,14-15H2,(H,25,26)(H2,23,27,28)
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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


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
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


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211830
PNG
(5-[3-(3,4-dichloro-phenyl)-ureido]-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C9H7Cl2N5O3S2/c10-5-2-1-4(3-6(5)11)13-7(17)14-8-15-16-9(20-8)21(12,18)19/h1-3H,(H2,12,18,19)(H2,13,14,15,17)
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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 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50211836
PNG
(4-(2-{[({[(3,4-dichlorophenyl)amino]carbonyl}amino...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C16H16Cl2N4O3S2/c17-13-6-3-11(9-14(13)18)21-15(23)22-16(26)20-8-7-10-1-4-12(5-2-10)27(19,24)25/h1-6,9H,7-8H2,(H2,19,24,25)(H3,20,21,22,23,26)
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
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
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50211825
PNG
(4,5-dichloro-6-[({[(4-methylphenyl)sulfonyl]amino}...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H14Cl2N4O7S3/c1-7-2-4-8(5-3-7)30(26,27)20-14(21)19-13-10(29(18,24)25)6-9(28(17,22)23)11(15)12(13)16/h2-6H,1H3,(H2,17,22,23)(H2,18,24,25)(H2,19,20,21)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211832
PNG
(4-[(aminocarbonyl)amino]-N-[4-(aminosulfonyl)pheny...)
Show SMILES NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N4O5S2/c14-13(18)16-9-1-7-12(8-2-9)24(21,22)17-10-3-5-11(6-4-10)23(15,19)20/h1-8,17H,(H3,14,16,18)(H2,15,19,20)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50211830
PNG
(5-[3-(3,4-dichloro-phenyl)-ureido]-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C9H7Cl2N5O3S2/c10-5-2-1-4(3-6(5)11)13-7(17)14-8-15-16-9(20-8)21(12,18)19/h1-3H,(H2,12,18,19)(H2,13,14,15,17)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50211833
PNG
(4-(2-((1-methyl-1H-pyrrol-2-yl)methyleneamino)ethy...)
Show SMILES Cn1cccc1\C=N\CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O2S/c1-17-10-2-3-13(17)11-16-9-8-12-4-6-14(7-5-12)20(15,18)19/h2-7,10-11H,8-9H2,1H3,(H2,15,18,19)/b16-11+
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
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
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211833
PNG
(4-(2-((1-methyl-1H-pyrrol-2-yl)methyleneamino)ethy...)
Show SMILES Cn1cccc1\C=N\CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O2S/c1-17-10-2-3-13(17)11-16-9-8-12-4-6-14(7-5-12)20(15,18)19/h2-7,10-11H,8-9H2,1H3,(H2,15,18,19)/b16-11+
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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 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50211831
PNG
(4-(2-((1H-pyrrol-2-yl)methyleneamino)ethyl)benzene...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc[nH]2)cc1
Show InChI InChI=1S/C13H15N3O2S/c14-19(17,18)13-5-3-11(4-6-13)7-9-15-10-12-2-1-8-16-12/h1-6,8,10,16H,7,9H2,(H2,14,17,18)/b15-10+
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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 bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211836
PNG
(4-(2-{[({[(3,4-dichlorophenyl)amino]carbonyl}amino...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C16H16Cl2N4O3S2/c17-13-6-3-11(9-14(13)18)21-15(23)22-16(26)20-8-7-10-1-4-12(5-2-10)27(19,24)25/h1-6,9H,7-8H2,(H2,19,24,25)(H3,20,21,22,23,26)
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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 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211824
PNG
(3-[({4-[(aminocarbonyl)amino]phenyl}sulfonyl)amino...)
Show SMILES NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N4O5S2/c14-13(18)16-9-4-6-11(7-5-9)24(21,22)17-10-2-1-3-12(8-10)23(15,19)20/h1-8,17H,(H3,14,16,18)(H2,15,19,20)
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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 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50211829
PNG
(4-(((1-methyl-1H-pyrrol-2-yl)methyleneamino)methyl...)
Show SMILES Cn1cccc1\C=N\Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H15N3O2S/c1-16-8-2-3-12(16)10-15-9-11-4-6-13(7-5-11)19(14,17)18/h2-8,10H,9H2,1H3,(H2,14,17,18)/b15-10+
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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 bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(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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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
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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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 6


(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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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50211837
PNG
(2-[(1E)-{[2-(4-sulfamoylphenyl)ethyl]imino}methyl]...)
Show SMILES NS(=O)(=O)c1ccc(CCN=Cc2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1 |w:11.11|
Show InChI InChI=1S/C22H21N3O6S2/c23-32(27,28)19-12-10-17(11-13-19)14-15-24-16-18-6-4-5-9-21(18)31-22(26)25-33(29,30)20-7-2-1-3-8-20/h1-13,16H,14-15H2,(H,25,26)(H2,23,27,28)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(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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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211831
PNG
(4-(2-((1H-pyrrol-2-yl)methyleneamino)ethyl)benzene...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc[nH]2)cc1
Show InChI InChI=1S/C13H15N3O2S/c14-19(17,18)13-5-3-11(4-6-13)7-9-15-10-12-2-1-8-16-12/h1-6,8,10,16H,7,9H2,(H2,14,17,18)/b15-10+
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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


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50211828
PNG
(4-(2-(pyridin-4-ylmethyleneamino)ethyl)benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccncc2)cc1
Show InChI InChI=1S/C14H15N3O2S/c15-20(18,19)14-3-1-12(2-4-14)5-10-17-11-13-6-8-16-9-7-13/h1-4,6-9,11H,5,10H2,(H2,15,18,19)/b17-11+
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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 bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
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


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211825
PNG
(4,5-dichloro-6-[({[(4-methylphenyl)sulfonyl]amino}...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H14Cl2N4O7S3/c1-7-2-4-8(5-3-7)30(26,27)20-14(21)19-13-10(29(18,24)25)6-9(28(17,22)23)11(15)12(13)16/h2-6H,1H3,(H2,17,22,23)(H2,18,24,25)(H2,19,20,21)
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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


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50211825
PNG
(4,5-dichloro-6-[({[(4-methylphenyl)sulfonyl]amino}...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H14Cl2N4O7S3/c1-7-2-4-8(5-3-7)30(26,27)20-14(21)19-13-10(29(18,24)25)6-9(28(17,22)23)11(15)12(13)16/h2-6H,1H3,(H2,17,22,23)(H2,18,24,25)(H2,19,20,21)
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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 bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
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
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211828
PNG
(4-(2-(pyridin-4-ylmethyleneamino)ethyl)benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccncc2)cc1
Show InChI InChI=1S/C14H15N3O2S/c15-20(18,19)14-3-1-12(2-4-14)5-10-17-11-13-6-8-16-9-7-13/h1-4,6-9,11H,5,10H2,(H2,15,18,19)/b17-11+
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 13


(Mus musculus (mouse))
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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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 13


(Mus musculus (mouse))
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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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Mus musculus (mouse))
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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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(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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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50211832
PNG
(4-[(aminocarbonyl)amino]-N-[4-(aminosulfonyl)pheny...)
Show SMILES NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N4O5S2/c14-13(18)16-9-1-7-12(8-2-9)24(21,22)17-10-3-5-11(6-4-10)23(15,19)20/h1-8,17H,(H3,14,16,18)(H2,15,19,20)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
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