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PubMed code 15139757

Compile data set for download or QSAR
Found 105 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))
BDBM50144828
PNG
(5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1
Show InChI InChI=1S/C8H4F4N4O4S3/c9-2-1-3(10)5(12)6(4(2)11)23(19,20)16-7-14-15-8(21-7)22(13,17)18/h1H,(H,14,16)(H2,13,17,18)
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146749
PNG
(2,3,5,6-Tetrafluoro-N-[3-methyl-5-sulfamoyl-3H-[1,...)
Show SMILES Cn1nc(s\c1=N\C(=O)c1c(F)c(F)cc(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C10H6F4N4O3S2/c1-18-9(22-10(17-18)23(15,20)21)16-8(19)5-6(13)3(11)2-4(12)7(5)14/h2H,1H3,(H2,15,20,21)/b16-9+
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1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144813
PNG
(2,3,5,6-Tetrafluoro-N-(2-fluoro-4-sulfamoyl-phenyl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)c1
Show InChI InChI=1S/C13H7F5N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
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1.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144820
PNG
(2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1
Show InChI InChI=1S/C9H4F4N4O3S2/c10-2-1-3(11)6(13)4(5(2)12)7(18)15-8-16-17-9(21-8)22(14,19)20/h1H,(H2,14,19,20)(H,15,16,18)
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2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146761
PNG
(5-(3-Pentafluorophenyl-ureido)-[1,3,4]thiadiazole-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)s1
Show InChI InChI=1S/C9H4F5N5O3S2/c10-1-2(11)4(13)6(5(14)3(1)12)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h(H2,15,21,22)(H2,16,17,18,20)
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3.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146755
PNG
(2,3,5,6-Tetrafluoro-N-(2-fluoro-4-sulfamoyl-phenyl...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c(F)c1
Show InChI InChI=1S/C12H7F5N2O4S2/c13-6-3-5(24(18,20)21)1-2-9(6)19-25(22,23)12-10(16)7(14)4-8(15)11(12)17/h1-4,19H,(H2,18,20,21)
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
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
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144822
PNG
(2,3,5,6-Tetrafluoro-N-[2-(4-sulfamoyl-phenyl)-ethy...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H12F4N2O4S2/c15-10-7-11(16)13(18)14(12(10)17)26(23,24)20-6-5-8-1-3-9(4-2-8)25(19,21)22/h1-4,7,20H,5-6H2,(H2,19,21,22)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
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
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144826
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzene...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C13H10F4N2O4S2/c14-9-5-10(15)12(17)13(11(9)16)25(22,23)19-6-7-1-3-8(4-2-7)24(18,20)21/h1-5,19H,6H2,(H2,18,20,21)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144816
PNG
(2,3,5,6-Tetrafluoro-N-[2-(4-sulfamoyl-phenyl)-ethy...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O3S/c16-10-7-11(17)14(19)12(13(10)18)15(22)21-6-5-8-1-3-9(4-2-8)25(20,23)24/h1-4,7H,5-6H2,(H,21,22)(H2,20,23,24)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144823
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H10F4N2O3S/c15-9-5-10(16)13(18)11(12(9)17)14(21)20-6-7-1-3-8(4-2-7)24(19,22)23/h1-5H,6H2,(H,20,21)(H2,19,22,23)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144828
PNG
(5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1
Show InChI InChI=1S/C8H4F4N4O4S3/c9-2-1-3(10)5(12)6(4(2)11)23(19,20)16-7-14-15-8(21-7)22(13,17)18/h1H,(H,14,16)(H2,13,17,18)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146753
PNG
(2,3,5,6-Tetrafluoro-N-[4-(4-sulfamoyl-phenylamino)...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3c(F)c(F)cc(F)c3F)n2)cc1
Show InChI InChI=1S/C16H11F4N5O4S2/c17-10-7-11(18)14(20)15(13(10)19)31(28,29)25-16-22-6-5-12(24-16)23-8-1-3-9(4-2-8)30(21,26)27/h1-7H,(H2,21,26,27)(H2,22,23,24,25)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
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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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144818
PNG
(2,3,5,6-Tetrafluoro-N-{4-[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C21H17F4N3O5S2/c22-16-11-17(23)20(25)18(19(16)24)21(29)28-13-3-7-15(8-4-13)35(32,33)27-10-9-12-1-5-14(6-2-12)34(26,30)31/h1-8,11,27H,9-10H2,(H,28,29)(H2,26,30,31)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
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
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146750
PNG
(4-(3-Pentafluorophenyl-ureidomethyl)-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C14H10F5N3O3S/c15-8-9(16)11(18)13(12(19)10(8)17)22-14(23)21-5-6-1-3-7(4-2-6)26(20,24)25/h1-4H,5H2,(H2,20,24,25)(H2,21,22,23)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146754
PNG
(4-[2-(3-Pentafluorophenyl-ureido)-ethyl]-benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H12F5N3O3S/c16-9-10(17)12(19)14(13(20)11(9)18)23-15(24)22-6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)(H2,22,23,24)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144828
PNG
(5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1
Show InChI InChI=1S/C8H4F4N4O4S3/c9-2-1-3(10)5(12)6(4(2)11)23(19,20)16-7-14-15-8(21-7)22(13,17)18/h1H,(H,14,16)(H2,13,17,18)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144817
PNG
(2,3,5,6-Tetrafluoro-N-[4-(4-sulfamoyl-benzylsulfam...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C20H15F4N3O5S2/c21-15-9-16(22)19(24)17(18(15)23)20(28)27-12-3-7-14(8-4-12)34(31,32)26-10-11-1-5-13(6-2-11)33(25,29)30/h1-9,26H,10H2,(H,27,28)(H2,25,29,30)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146758
PNG
(4-Chloro-6-(3-pentafluorophenyl-ureido)-benzene-1,...)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C13H8ClF5N4O5S2/c14-3-1-4(6(30(21,27)28)2-5(3)29(20,25)26)22-13(24)23-12-10(18)8(16)7(15)9(17)11(12)19/h1-2H,(H2,20,25,26)(H2,21,27,28)(H2,22,23,24)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144814
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-1-3-7(4-2-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146748
PNG
(3-Fluoro-4-(3-pentafluorophenyl-ureido)-benzenesul...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1
Show InChI InChI=1S/C13H7F6N3O3S/c14-5-3-4(26(20,24)25)1-2-6(5)21-13(23)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,(H2,20,24,25)(H2,21,22,23)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144824
PNG
(2,3,5,6-Tetrafluoro-N-[4-(4-sulfamoyl-phenylsulfam...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C19H13F4N3O5S2/c20-14-9-15(21)18(23)16(17(14)22)19(27)25-10-1-7-13(8-2-10)33(30,31)26-11-3-5-12(6-4-11)32(24,28)29/h1-9,26H,(H,25,27)(H2,24,28,29)
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144819
PNG
(2,3,5,6-Tetrafluoro-N-(3-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1
Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146753
PNG
(2,3,5,6-Tetrafluoro-N-[4-(4-sulfamoyl-phenylamino)...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3c(F)c(F)cc(F)c3F)n2)cc1
Show InChI InChI=1S/C16H11F4N5O4S2/c17-10-7-11(18)14(20)15(13(10)19)31(28,29)25-16-22-6-5-12(24-16)23-8-1-3-9(4-2-8)30(21,26)27/h1-7H,(H2,21,26,27)(H2,22,23,24,25)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144820
PNG
(2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1
Show InChI InChI=1S/C9H4F4N4O3S2/c10-2-1-3(11)6(13)4(5(2)12)7(18)15-8-16-17-9(21-8)22(14,19)20/h1H,(H2,14,19,20)(H,15,16,18)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146751
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-phenyl)-benzene...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C12H8F4N2O4S2/c13-8-5-9(14)11(16)12(10(8)15)24(21,22)18-6-1-3-7(4-2-6)23(17,19)20/h1-5,18H,(H2,17,19,20)
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
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
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146749
PNG
(2,3,5,6-Tetrafluoro-N-[3-methyl-5-sulfamoyl-3H-[1,...)
Show SMILES Cn1nc(s\c1=N\C(=O)c1c(F)c(F)cc(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C10H6F4N4O3S2/c1-18-9(22-10(17-18)23(15,20)21)16-8(19)5-6(13)3(11)2-4(12)7(5)14/h2H,1H3,(H2,15,20,21)/b16-9+
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146759
PNG
(3-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-2-1-3-6(4-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144813
PNG
(2,3,5,6-Tetrafluoro-N-(2-fluoro-4-sulfamoyl-phenyl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)c1
Show InChI InChI=1S/C13H7F5N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
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31n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144815
PNG
(2,3,5,6-Tetrafluoro-N-(2-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C13H8F4N2O3S/c14-6-5-7(15)12(17)10(11(6)16)13(20)19-8-3-1-2-4-9(8)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
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
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146754
PNG
(4-[2-(3-Pentafluorophenyl-ureido)-ethyl]-benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H12F5N3O3S/c16-9-10(17)12(19)14(13(20)11(9)18)23-15(24)22-6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)(H2,22,23,24)
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41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146755
PNG
(2,3,5,6-Tetrafluoro-N-(2-fluoro-4-sulfamoyl-phenyl...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c(F)c1
Show InChI InChI=1S/C12H7F5N2O4S2/c13-6-3-5(24(18,20)21)1-2-9(6)19-25(22,23)12-10(16)7(14)4-8(15)11(12)17/h1-4,19H,(H2,18,20,21)
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42n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144827
PNG
(CHEMBL309592 | N-(2-Chloro-4-sulfamoyl-phenyl)-2,3...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1
Show InChI InChI=1S/C13H7ClF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
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42n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
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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43n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146757
PNG
(2-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccccc1NC(=O)Nc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-3-1-2-4-6(5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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44n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146761
PNG
(5-(3-Pentafluorophenyl-ureido)-[1,3,4]thiadiazole-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)s1
Show InChI InChI=1S/C9H4F5N5O3S2/c10-1-2(11)4(13)6(5(14)3(1)12)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h(H2,15,21,22)(H2,16,17,18,20)
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45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144818
PNG
(2,3,5,6-Tetrafluoro-N-{4-[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C21H17F4N3O5S2/c22-16-11-17(23)20(25)18(19(16)24)21(29)28-13-3-7-15(8-4-13)35(32,33)27-10-9-12-1-5-14(6-2-12)34(26,30)31/h1-8,11,27H,9-10H2,(H,28,29)(H2,26,30,31)
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49n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146762
PNG
(CHEMBL317743 | N-(2-Chloro-4-sulfamoyl-phenyl)-2,3...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1
Show InChI InChI=1S/C12H7ClF4N2O4S2/c13-6-3-5(24(18,20)21)1-2-9(6)19-25(22,23)12-10(16)7(14)4-8(15)11(12)17/h1-4,19H,(H2,18,20,21)
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49n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144825
PNG
(CHEMBL75620 | N-(2-Bromo-4-sulfamoyl-phenyl)-2,3,5...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1
Show InChI InChI=1S/C13H7BrF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146750
PNG
(4-(3-Pentafluorophenyl-ureidomethyl)-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C14H10F5N3O3S/c15-8-9(16)11(18)13(12(19)10(8)17)22-14(23)21-5-6-1-3-7(4-2-6)26(20,24)25/h1-4H,5H2,(H2,20,24,25)(H2,21,22,23)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144817
PNG
(2,3,5,6-Tetrafluoro-N-[4-(4-sulfamoyl-benzylsulfam...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C20H15F4N3O5S2/c21-15-9-16(22)19(24)17(18(15)23)20(28)27-12-3-7-14(8-4-12)34(31,32)26-10-11-1-5-13(6-2-11)33(25,29)30/h1-9,26H,10H2,(H,27,28)(H2,25,29,30)
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54n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146758
PNG
(4-Chloro-6-(3-pentafluorophenyl-ureido)-benzene-1,...)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C13H8ClF5N4O5S2/c14-3-1-4(6(30(21,27)28)2-5(3)29(20,25)26)22-13(24)23-12-10(18)8(16)7(15)9(17)11(12)19/h1-2H,(H2,20,25,26)(H2,21,27,28)(H2,22,23,24)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146762
PNG
(CHEMBL317743 | N-(2-Chloro-4-sulfamoyl-phenyl)-2,3...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1
Show InChI InChI=1S/C12H7ClF4N2O4S2/c13-6-3-5(24(18,20)21)1-2-9(6)19-25(22,23)12-10(16)7(14)4-8(15)11(12)17/h1-4,19H,(H2,18,20,21)
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61n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146748
PNG
(3-Fluoro-4-(3-pentafluorophenyl-ureido)-benzenesul...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1
Show InChI InChI=1S/C13H7F6N3O3S/c14-5-3-4(26(20,24)25)1-2-6(5)21-13(23)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,(H2,20,24,25)(H2,21,22,23)
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144824
PNG
(2,3,5,6-Tetrafluoro-N-[4-(4-sulfamoyl-phenylsulfam...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C19H13F4N3O5S2/c20-14-9-15(21)18(23)16(17(14)22)19(27)25-10-1-7-13(8-2-10)33(30,31)26-11-3-5-12(6-4-11)32(24,28)29/h1-9,26H,(H,25,27)(H2,24,28,29)
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144822
PNG
(2,3,5,6-Tetrafluoro-N-[2-(4-sulfamoyl-phenyl)-ethy...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H12F4N2O4S2/c15-10-7-11(16)13(18)14(12(10)17)26(23,24)20-6-5-8-1-3-9(4-2-8)25(19,21)22/h1-4,7,20H,5-6H2,(H2,19,21,22)
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76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144827
PNG
(CHEMBL309592 | N-(2-Chloro-4-sulfamoyl-phenyl)-2,3...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1
Show InChI InChI=1S/C13H7ClF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
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76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146760
PNG
(3-Chloro-4-(3-pentafluorophenyl-ureido)-benzenesul...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Cl)c1
Show InChI InChI=1S/C13H7ClF5N3O3S/c14-5-3-4(26(20,24)25)1-2-6(5)21-13(23)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,(H2,20,24,25)(H2,21,22,23)
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144825
PNG
(CHEMBL75620 | N-(2-Bromo-4-sulfamoyl-phenyl)-2,3,5...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1
Show InChI InChI=1S/C13H7BrF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
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84n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144816
PNG
(2,3,5,6-Tetrafluoro-N-[2-(4-sulfamoyl-phenyl)-ethy...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O3S/c16-10-7-11(17)14(19)12(13(10)18)15(22)21-6-5-8-1-3-9(4-2-8)25(20,23)24/h1-4,7H,5-6H2,(H,21,22)(H2,20,23,24)
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94n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146752
PNG
(3-Bromo-4-(3-pentafluorophenyl-ureido)-benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Br)c1
Show InChI InChI=1S/C13H7BrF5N3O3S/c14-5-3-4(26(20,24)25)1-2-6(5)21-13(23)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,(H2,20,24,25)(H2,21,22,23)
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95n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144823
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H10F4N2O3S/c15-9-5-10(16)13(18)11(12(9)17)14(21)20-6-7-1-3-8(4-2-7)24(19,22)23/h1-5H,6H2,(H,20,21)(H2,19,22,23)
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120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144826
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzene...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C13H10F4N2O4S2/c14-9-5-10(15)12(17)13(11(9)16)25(22,23)19-6-7-1-3-8(4-2-7)24(18,20)21/h1-5,19H,6H2,(H2,18,20,21)
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135n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
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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220n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
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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240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146760
PNG
(3-Chloro-4-(3-pentafluorophenyl-ureido)-benzenesul...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Cl)c1
Show InChI InChI=1S/C13H7ClF5N3O3S/c14-5-3-4(26(20,24)25)1-2-6(5)21-13(23)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,(H2,20,24,25)(H2,21,22,23)
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245n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144820
PNG
(2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1
Show InChI InChI=1S/C9H4F4N4O3S2/c10-2-1-3(11)6(13)4(5(2)12)7(18)15-8-16-17-9(21-8)22(14,19)20/h1H,(H2,14,19,20)(H,15,16,18)
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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146749
PNG
(2,3,5,6-Tetrafluoro-N-[3-methyl-5-sulfamoyl-3H-[1,...)
Show SMILES Cn1nc(s\c1=N\C(=O)c1c(F)c(F)cc(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C10H6F4N4O3S2/c1-18-9(22-10(17-18)23(15,20)21)16-8(19)5-6(13)3(11)2-4(12)7(5)14/h2H,1H3,(H2,15,20,21)/b16-9+
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270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146761
PNG
(5-(3-Pentafluorophenyl-ureido)-[1,3,4]thiadiazole-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)s1
Show InChI InChI=1S/C9H4F5N5O3S2/c10-1-2(11)4(13)6(5(14)3(1)12)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h(H2,15,21,22)(H2,16,17,18,20)
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270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146753
PNG
(2,3,5,6-Tetrafluoro-N-[4-(4-sulfamoyl-phenylamino)...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3c(F)c(F)cc(F)c3F)n2)cc1
Show InChI InChI=1S/C16H11F4N5O4S2/c17-10-7-11(18)14(20)15(13(10)19)31(28,29)25-16-22-6-5-12(24-16)23-8-1-3-9(4-2-8)30(21,26)27/h1-7H,(H2,21,26,27)(H2,22,23,24,25)
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320n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146751
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-phenyl)-benzene...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C12H8F4N2O4S2/c13-8-5-9(14)11(16)12(10(8)15)24(21,22)18-6-1-3-7(4-2-6)23(17,19)20/h1-5,18H,(H2,17,19,20)
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330n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146752
PNG
(3-Bromo-4-(3-pentafluorophenyl-ureido)-benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Br)c1
Show InChI InChI=1S/C13H7BrF5N3O3S/c14-5-3-4(26(20,24)25)1-2-6(5)21-13(23)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,(H2,20,24,25)(H2,21,22,23)
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360n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
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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380n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144814
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-1-3-7(4-2-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144819
PNG
(2,3,5,6-Tetrafluoro-N-(3-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1
Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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430n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146759
PNG
(3-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-2-1-3-6(4-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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430n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50146757
PNG
(2-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccccc1NC(=O)Nc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-3-1-2-4-6(5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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485n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146755
PNG
(2,3,5,6-Tetrafluoro-N-(2-fluoro-4-sulfamoyl-phenyl...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c(F)c1
Show InChI InChI=1S/C12H7F5N2O4S2/c13-6-3-5(24(18,20)21)1-2-9(6)19-25(22,23)12-10(16)7(14)4-8(15)11(12)17/h1-4,19H,(H2,18,20,21)
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580n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50144815
PNG
(2,3,5,6-Tetrafluoro-N-(2-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C13H8F4N2O3S/c14-6-5-7(15)12(17)10(11(6)16)13(20)19-8-3-1-2-4-9(8)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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690n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146758
PNG
(4-Chloro-6-(3-pentafluorophenyl-ureido)-benzene-1,...)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C13H8ClF5N4O5S2/c14-3-1-4(6(30(21,27)28)2-5(3)29(20,25)26)22-13(24)23-12-10(18)8(16)7(15)9(17)11(12)19/h1-2H,(H2,20,25,26)(H2,21,27,28)(H2,22,23,24)
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740n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144822
PNG
(2,3,5,6-Tetrafluoro-N-[2-(4-sulfamoyl-phenyl)-ethy...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H12F4N2O4S2/c15-10-7-11(16)13(18)14(12(10)17)26(23,24)20-6-5-8-1-3-9(4-2-8)25(19,21)22/h1-4,7,20H,5-6H2,(H2,19,21,22)
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750n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146748
PNG
(3-Fluoro-4-(3-pentafluorophenyl-ureido)-benzenesul...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1
Show InChI InChI=1S/C13H7F6N3O3S/c14-5-3-4(26(20,24)25)1-2-6(5)21-13(23)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,(H2,20,24,25)(H2,21,22,23)
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760n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144813
PNG
(2,3,5,6-Tetrafluoro-N-(2-fluoro-4-sulfamoyl-phenyl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)c1
Show InChI InChI=1S/C13H7F5N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
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760n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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780n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144826
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzene...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C13H10F4N2O4S2/c14-9-5-10(15)12(17)13(11(9)16)25(22,23)19-6-7-1-3-8(4-2-7)24(18,20)21/h1-5,19H,6H2,(H2,18,20,21)
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860n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
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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900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144816
PNG
(2,3,5,6-Tetrafluoro-N-[2-(4-sulfamoyl-phenyl)-ethy...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C15H12F4N2O3S/c16-10-7-11(17)14(19)12(13(10)18)15(22)21-6-5-8-1-3-9(4-2-8)25(20,23)24/h1-4,7H,5-6H2,(H,21,22)(H2,20,23,24)
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900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146762
PNG
(CHEMBL317743 | N-(2-Chloro-4-sulfamoyl-phenyl)-2,3...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1
Show InChI InChI=1S/C12H7ClF4N2O4S2/c13-6-3-5(24(18,20)21)1-2-9(6)19-25(22,23)12-10(16)7(14)4-8(15)11(12)17/h1-4,19H,(H2,18,20,21)
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930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146754
PNG
(4-[2-(3-Pentafluorophenyl-ureido)-ethyl]-benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H12F5N3O3S/c16-9-10(17)12(19)14(13(20)11(9)18)23-15(24)22-6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)(H2,22,23,24)
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940n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146756
PNG
(4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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950n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144814
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-1-3-7(4-2-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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975n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144823
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H10F4N2O3S/c15-9-5-10(16)13(18)11(12(9)17)14(21)20-6-7-1-3-8(4-2-7)24(19,22)23/h1-5H,6H2,(H,20,21)(H2,19,22,23)
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980n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146750
PNG
(4-(3-Pentafluorophenyl-ureidomethyl)-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C14H10F5N3O3S/c15-8-9(16)11(18)13(12(19)10(8)17)22-14(23)21-5-6-1-3-7(4-2-6)26(20,24)25/h1-4H,5H2,(H2,20,24,25)(H2,21,22,23)
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144827
PNG
(CHEMBL309592 | N-(2-Chloro-4-sulfamoyl-phenyl)-2,3...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1
Show InChI InChI=1S/C13H7ClF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
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1.08E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146760
PNG
(3-Chloro-4-(3-pentafluorophenyl-ureido)-benzenesul...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Cl)c1
Show InChI InChI=1S/C13H7ClF5N3O3S/c14-5-3-4(26(20,24)25)1-2-6(5)21-13(23)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,(H2,20,24,25)(H2,21,22,23)
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146751
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-phenyl)-benzene...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C12H8F4N2O4S2/c13-8-5-9(14)11(16)12(10(8)15)24(21,22)18-6-1-3-7(4-2-6)23(17,19)20/h1-5,18H,(H2,17,19,20)
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144815
PNG
(2,3,5,6-Tetrafluoro-N-(2-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccccc1NC(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C13H8F4N2O3S/c14-6-5-7(15)12(17)10(11(6)16)13(20)19-8-3-1-2-4-9(8)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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1.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144819
PNG
(2,3,5,6-Tetrafluoro-N-(3-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1
Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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1.70E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146757
PNG
(2-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccccc1NC(=O)Nc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-3-1-2-4-6(5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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1.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146759
PNG
(3-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-2-1-3-6(4-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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1.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144825
PNG
(CHEMBL75620 | N-(2-Bromo-4-sulfamoyl-phenyl)-2,3,5...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Br)c1
Show InChI InChI=1S/C13H7BrF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
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1.87E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146752
PNG
(3-Bromo-4-(3-pentafluorophenyl-ureido)-benzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Br)c1
Show InChI InChI=1S/C13H7BrF5N3O3S/c14-5-3-4(26(20,24)25)1-2-6(5)21-13(23)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,(H2,20,24,25)(H2,21,22,23)
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1.96E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144818
PNG
(2,3,5,6-Tetrafluoro-N-{4-[2-(4-sulfamoyl-phenyl)-e...)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C21H17F4N3O5S2/c22-16-11-17(23)20(25)18(19(16)24)21(29)28-13-3-7-15(8-4-13)35(32,33)27-10-9-12-1-5-14(6-2-12)34(26,30)31/h1-8,11,27H,9-10H2,(H,28,29)(H2,26,30,31)
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6.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144817
PNG
(2,3,5,6-Tetrafluoro-N-[4-(4-sulfamoyl-benzylsulfam...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C20H15F4N3O5S2/c21-15-9-16(22)19(24)17(18(15)23)20(28)27-12-3-7-14(8-4-12)34(31,32)26-10-11-1-5-13(6-2-11)33(25,29)30/h1-9,26H,10H2,(H,27,28)(H2,25,29,30)
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6.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144824
PNG
(2,3,5,6-Tetrafluoro-N-[4-(4-sulfamoyl-phenylsulfam...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)cc(F)c3F)cc2)cc1
Show InChI InChI=1S/C19H13F4N3O5S2/c20-14-9-15(21)18(23)16(17(14)22)19(27)25-10-1-7-13(8-2-10)33(30,31)26-11-3-5-12(6-4-11)32(24,28)29/h1-9,26H,(H,25,27)(H2,24,28,29)
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6.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%