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Compile Data Set for Download or QSAR

Found 176 hits Enz. Inhib. hit(s) with all data for entry = 50036730   
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))
BDBM50079040
PNG
(6-[2-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2cccc(n2)C(O)=O)s1
Show InChI InChI=1S/C12H12N6O6S2/c13-26(23,24)12-18-17-11(25-12)16-8(19)4-5-14-9(20)6-2-1-3-7(15-6)10(21)22/h1-3H,4-5H2,(H,14,20)(H,21,22)(H2,13,23,24)(H,16,17,19)
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079059
PNG
(6-(2-Sulfamoyl-benzothiazol-6-yloxycarbamoyl)-pyri...)
Show SMILES NS(=O)(=O)c1nc2ccc(ONC(=O)c3cccc(n3)C(O)=O)cc2s1
Show InChI InChI=1S/C14H10N4O6S2/c15-26(22,23)14-17-8-5-4-7(6-11(8)25-14)24-18-12(19)9-2-1-3-10(16-9)13(20)21/h1-6H,(H,18,19)(H,20,21)(H2,15,22,23)
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079034
PNG
(6-(2-Sulfamoyl-benzothiazol-6-ylcarbamoyl)-pyridin...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)c3cccc(n3)C(O)=O)cc2s1
Show InChI InChI=1S/C14H10N4O5S2/c15-25(22,23)14-18-8-5-4-7(6-11(8)24-14)16-12(19)9-2-1-3-10(17-9)13(20)21/h1-6H,(H,16,19)(H,20,21)(H2,15,22,23)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079062
PNG
(6-[2-(2-Sulfamoyl-benzothiazol-6-yloxy)-ethoxycarb...)
Show SMILES NS(=O)(=O)c1nc2ccc(OCCONC(=O)c3cccc(n3)C(O)=O)cc2s1
Show InChI InChI=1S/C16H14N4O7S2/c17-29(24,25)16-19-10-5-4-9(8-13(10)28-16)26-6-7-27-20-14(21)11-2-1-3-12(18-11)15(22)23/h1-5,8H,6-7H2,(H,20,21)(H,22,23)(H2,17,24,25)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079042
PNG
(3-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCN2C(=O)c3cccnc3C2=O)s1
Show InChI InChI=1S/C12H10N6O5S2/c13-25(22,23)12-17-16-11(24-12)15-7(19)3-5-18-9(20)6-2-1-4-14-8(6)10(18)21/h1-2,4H,3,5H2,(H2,13,22,23)(H,15,16,19)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
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
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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3.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079031
PNG
(6-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...)
Show SMILES NS(=O)(=O)c1nc2ccc(cc2s1)N1C(=O)c2cccnc2C1=O
Show InChI InChI=1S/C14H8N4O4S2/c15-24(21,22)14-17-9-4-3-7(6-10(9)23-14)18-12(19)8-2-1-5-16-11(8)13(18)20/h1-6H,(H2,15,21,22)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079048
PNG
(6-[Ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-4,5,6,7-t...)
Show SMILES CCN(C1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C17H19N3O7S3/c1-3-20(15(21)11-5-4-6-12(19-11)16(22)23)13-7-9(2)29(24,25)17-10(13)8-14(28-17)30(18,26)27/h4-6,8-9,13H,3,7H2,1-2H3,(H,22,23)(H2,18,26,27)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079056
PNG
(2-[Ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-4,5,6,7-t...)
Show SMILES CCN(C1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)c1ncccc1C(O)=O
Show InChI InChI=1S/C17H19N3O7S3/c1-3-20(15(21)14-10(16(22)23)5-4-6-19-14)12-7-9(2)29(24,25)17-11(12)8-13(28-17)30(18,26)27/h4-6,8-9,12H,3,7H2,1-2H3,(H,22,23)(H2,18,26,27)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079037
PNG
(6-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-py...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2cccc(n2)C(O)=O)s1
Show InChI InChI=1S/C9H7N5O5S2/c10-21(18,19)9-14-13-8(20-9)12-6(15)4-2-1-3-5(11-4)7(16)17/h1-3H,(H,16,17)(H2,10,18,19)(H,12,13,15)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079051
PNG
(6-[2-(4-Sulfamoyl-phenyl)-ethylcarbamoyl]-pyridine...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)11-6-4-10(5-7-11)8-9-17-14(19)12-2-1-3-13(18-12)15(20)21/h1-7H,8-9H2,(H,17,19)(H,20,21)(H2,16,22,23)
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079049
PNG
(6-(2-Hydroxy-ethoxy)-benzothiazole-2-sulfonic acid...)
Show SMILES NS(=O)(=O)c1nc2ccc(OCCO)cc2s1
Show InChI InChI=1S/C9H10N2O4S2/c10-17(13,14)9-11-7-2-1-6(15-4-3-12)5-8(7)16-9/h1-2,5,12H,3-4H2,(H2,10,13,14)
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079058
PNG
(6-[3-Methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2Z)-...)
Show SMILES Cn1nc(s\c1=N/C(=O)c1cccc(n1)C(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C10H9N5O5S2/c1-15-9(21-10(14-15)22(11,19)20)13-7(16)5-3-2-4-6(12-5)8(17)18/h2-4H,1H3,(H,17,18)(H2,11,19,20)/b13-9-
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079033
PNG
(5-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...)
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)c2cccnc2C1=O
Show InChI InChI=1S/C9H5N5O4S2/c10-20(17,18)9-13-12-8(19-9)14-6(15)4-2-1-3-11-5(4)7(14)16/h1-3H,(H2,10,17,18)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10874
PNG
(6-hydroxy-1,3-benzothiazole-2-sulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079067
PNG
(6-(2-Fluoro-4-sulfamoyl-phenylcarbamoyl)-pyridine-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(n2)C(O)=O)c(F)c1
Show InChI InChI=1S/C13H10FN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079052
PNG
(6-(5-Chloro-2,4-disulfamoyl-phenylcarbamoyl)-pyrid...)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)c2cccc(n2)C(O)=O)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C13H11ClN4O7S2/c14-6-4-9(11(27(16,24)25)5-10(6)26(15,22)23)18-12(19)7-2-1-3-8(17-7)13(20)21/h1-5H,(H,18,19)(H,20,21)(H2,15,22,23)(H2,16,24,25)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079057
PNG
(4-Chloro-6-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-b]py...)
Show SMILES NS(=O)(=O)c1cc(c(cc1Cl)N1C(=O)c2cccnc2C1=O)S(N)(=O)=O
Show InChI InChI=1S/C13H9ClN4O6S2/c14-7-4-8(10(26(16,23)24)5-9(7)25(15,21)22)18-12(19)6-2-1-3-17-11(6)13(18)20/h1-5H,(H2,15,21,22)(H2,16,23,24)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079027
PNG
(4-[2-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-...)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1
Show InChI InChI=1S/C15H13N3O4S/c16-23(21,22)11-5-3-10(4-6-11)7-9-18-14(19)12-2-1-8-17-13(12)15(18)20/h1-6,8H,7,9H2,(H2,16,21,22)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079035
PNG
(6-Amino-benzothiazole-2-sulfonic acid amide | 6-am...)
Show SMILES Nc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C7H7N3O2S2/c8-4-1-2-5-6(3-4)13-7(10-5)14(9,11)12/h1-3H,8H2,(H2,9,11,12)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
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

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079040
PNG
(6-[2-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2cccc(n2)C(O)=O)s1
Show InChI InChI=1S/C12H12N6O6S2/c13-26(23,24)12-18-17-11(25-12)16-8(19)4-5-14-9(20)6-2-1-3-7(15-6)10(21)22/h1-3H,4-5H2,(H,14,20)(H,21,22)(H2,13,23,24)(H,16,17,19)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079031
PNG
(6-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...)
Show SMILES NS(=O)(=O)c1nc2ccc(cc2s1)N1C(=O)c2cccnc2C1=O
Show InChI InChI=1S/C14H8N4O4S2/c15-24(21,22)14-17-9-4-3-7(6-10(9)23-14)18-12(19)8-2-1-5-16-11(8)13(18)20/h1-6H,(H2,15,21,22)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079062
PNG
(6-[2-(2-Sulfamoyl-benzothiazol-6-yloxy)-ethoxycarb...)
Show SMILES NS(=O)(=O)c1nc2ccc(OCCONC(=O)c3cccc(n3)C(O)=O)cc2s1
Show InChI InChI=1S/C16H14N4O7S2/c17-29(24,25)16-19-10-5-4-9(8-13(10)28-16)26-6-7-27-20-14(21)11-2-1-3-12(18-11)15(22)23/h1-5,8H,6-7H2,(H,20,21)(H,22,23)(H2,17,24,25)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079042
PNG
(3-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCN2C(=O)c3cccnc3C2=O)s1
Show InChI InChI=1S/C12H10N6O5S2/c13-25(22,23)12-17-16-11(24-12)15-7(19)3-5-18-9(20)6-2-1-4-14-8(6)10(18)21/h1-2,4H,3,5H2,(H2,13,22,23)(H,15,16,19)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079063
PNG
(6-(2,3-Dichloro-4,6-disulfamoyl-phenylcarbamoyl)-p...)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)c2cccc(n2)C(O)=O)c(Cl)c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C13H10Cl2N4O7S2/c14-9-7(27(16,23)24)4-8(28(17,25)26)11(10(9)15)19-12(20)5-2-1-3-6(18-5)13(21)22/h1-4H,(H,19,20)(H,21,22)(H2,16,23,24)(H2,17,25,26)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079030
PNG
(4-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...)
Show SMILES NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(F)c1
Show InChI InChI=1S/C13H8FN3O4S/c14-9-6-7(22(15,20)21)3-4-10(9)17-12(18)8-2-1-5-16-11(8)13(17)19/h1-6H,(H2,15,20,21)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079034
PNG
(6-(2-Sulfamoyl-benzothiazol-6-ylcarbamoyl)-pyridin...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)c3cccc(n3)C(O)=O)cc2s1
Show InChI InChI=1S/C14H10N4O5S2/c15-25(22,23)14-18-8-5-4-7(6-11(8)24-14)16-12(19)9-2-1-3-10(17-9)13(20)21/h1-6H,(H,16,19)(H,20,21)(H2,15,22,23)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079031
PNG
(6-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...)
Show SMILES NS(=O)(=O)c1nc2ccc(cc2s1)N1C(=O)c2cccnc2C1=O
Show InChI InChI=1S/C14H8N4O4S2/c15-24(21,22)14-17-9-4-3-7(6-10(9)23-14)18-12(19)8-2-1-5-16-11(8)13(18)20/h1-6H,(H2,15,21,22)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human cloned Carbonic anhydrase I (hCA I,cytosolic form)


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079041
PNG
(4,5-Dichloro-6-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-...)
Show SMILES NS(=O)(=O)c1cc(c(N2C(=O)c3cccnc3C2=O)c(Cl)c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C13H8Cl2N4O6S2/c14-8-6(26(16,22)23)4-7(27(17,24)25)11(9(8)15)19-12(20)5-2-1-3-18-10(5)13(19)21/h1-4H,(H2,16,22,23)(H2,17,24,25)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079059
PNG
(6-(2-Sulfamoyl-benzothiazol-6-yloxycarbamoyl)-pyri...)
Show SMILES NS(=O)(=O)c1nc2ccc(ONC(=O)c3cccc(n3)C(O)=O)cc2s1
Show InChI InChI=1S/C14H10N4O6S2/c15-26(22,23)14-17-8-5-4-7(6-11(8)25-14)24-18-12(19)9-2-1-3-10(16-9)13(20)21/h1-6H,(H,18,19)(H,20,21)(H2,15,22,23)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079049
PNG
(6-(2-Hydroxy-ethoxy)-benzothiazole-2-sulfonic acid...)
Show SMILES NS(=O)(=O)c1nc2ccc(OCCO)cc2s1
Show InChI InChI=1S/C9H10N2O4S2/c10-17(13,14)9-11-7-2-1-6(15-4-3-12)5-8(7)16-9/h1-2,5,12H,3-4H2,(H2,10,13,14)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079066
PNG
(6-[2-(4-Sulfamoyl-phenyl)-ethoxycarbamoyl]-pyridin...)
Show SMILES NS(=O)(=O)c1ccc(CCONC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C15H15N3O6S/c16-25(22,23)11-6-4-10(5-7-11)8-9-24-18-14(19)12-2-1-3-13(17-12)15(20)21/h1-7H,8-9H2,(H,18,19)(H,20,21)(H2,16,22,23)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079062
PNG
(6-[2-(2-Sulfamoyl-benzothiazol-6-yloxy)-ethoxycarb...)
Show SMILES NS(=O)(=O)c1nc2ccc(OCCONC(=O)c3cccc(n3)C(O)=O)cc2s1
Show InChI InChI=1S/C16H14N4O7S2/c17-29(24,25)16-19-10-5-4-9(8-13(10)28-16)26-6-7-27-20-14(21)11-2-1-3-12(18-11)15(22)23/h1-5,8H,6-7H2,(H,20,21)(H,22,23)(H2,17,24,25)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase isozyme I (hCA I, cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079059
PNG
(6-(2-Sulfamoyl-benzothiazol-6-yloxycarbamoyl)-pyri...)
Show SMILES NS(=O)(=O)c1nc2ccc(ONC(=O)c3cccc(n3)C(O)=O)cc2s1
Show InChI InChI=1S/C14H10N4O6S2/c15-26(22,23)14-17-8-5-4-7(6-11(8)25-14)24-18-12(19)9-2-1-3-10(16-9)13(20)21/h1-6H,(H,18,19)(H,20,21)(H2,15,22,23)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase isozyme I (hCA I, cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM10874
PNG
(6-hydroxy-1,3-benzothiazole-2-sulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079048
PNG
(6-[Ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-4,5,6,7-t...)
Show SMILES CCN(C1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C17H19N3O7S3/c1-3-20(15(21)11-5-4-6-12(19-11)16(22)23)13-7-9(2)29(24,25)17-10(13)8-14(28-17)30(18,26)27/h4-6,8-9,13H,3,7H2,1-2H3,(H,22,23)(H2,18,26,27)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079056
PNG
(2-[Ethyl-(6-methyl-7,7-dioxo-2-sulfamoyl-4,5,6,7-t...)
Show SMILES CCN(C1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)c1ncccc1C(O)=O
Show InChI InChI=1S/C17H19N3O7S3/c1-3-20(15(21)14-10(16(22)23)5-4-6-19-14)12-7-9(2)29(24,25)17-11(12)8-13(28-17)30(18,26)27/h4-6,8-9,12H,3,7H2,1-2H3,(H,22,23)(H2,18,26,27)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079033
PNG
(5-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...)
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)c2cccnc2C1=O
Show InChI InChI=1S/C9H5N5O4S2/c10-20(17,18)9-13-12-8(19-9)14-6(15)4-2-1-3-11-5(4)7(14)16/h1-3H,(H2,10,17,18)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079034
PNG
(6-(2-Sulfamoyl-benzothiazol-6-ylcarbamoyl)-pyridin...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)c3cccc(n3)C(O)=O)cc2s1
Show InChI InChI=1S/C14H10N4O5S2/c15-25(22,23)14-18-8-5-4-7(6-11(8)24-14)16-12(19)9-2-1-3-10(17-9)13(20)21/h1-6H,(H,16,19)(H,20,21)(H2,15,22,23)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase isozyme I (hCA I, cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079042
PNG
(3-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCN2C(=O)c3cccnc3C2=O)s1
Show InChI InChI=1S/C12H10N6O5S2/c13-25(22,23)12-17-16-11(24-12)15-7(19)3-5-18-9(20)6-2-1-4-14-8(6)10(18)21/h1-2,4H,3,5H2,(H2,13,22,23)(H,15,16,19)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human cloned Carbonic anhydrase I (hCA I,cytosolic form)


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10869
PNG
(5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...)
Show SMILES Cn1nc(sc1=N)S(N)(=O)=O
Show InChI InChI=1S/C3H6N4O2S2/c1-7-2(4)10-3(6-7)11(5,8)9/h4H,1H3,(H2,5,8,9)
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079035
PNG
(6-Amino-benzothiazole-2-sulfonic acid amide | 6-am...)
Show SMILES Nc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C7H7N3O2S2/c8-4-1-2-5-6(3-4)13-7(10-5)14(9,11)12/h1-3H,8H2,(H2,9,11,12)
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079058
PNG
(6-[3-Methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2Z)-...)
Show SMILES Cn1nc(s\c1=N/C(=O)c1cccc(n1)C(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C10H9N5O5S2/c1-15-9(21-10(14-15)22(11,19)20)13-7(16)5-3-2-4-6(12-5)8(17)18/h2-4H,1H3,(H,17,18)(H2,11,19,20)/b13-9-
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50079040
PNG
(6-[2-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2cccc(n2)C(O)=O)s1
Show InChI InChI=1S/C12H12N6O6S2/c13-26(23,24)12-18-17-11(25-12)16-8(19)4-5-14-9(20)6-2-1-3-7(15-6)10(21)22/h1-3H,4-5H2,(H,14,20)(H,21,22)(H2,13,23,24)(H,16,17,19)
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase isozyme I (hCA I, cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079044
PNG
(6-(4-Sulfamoyl-benzyloxycarbamoyl)-pyridine-2-carb...)
Show SMILES NS(=O)(=O)c1ccc(CONC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C14H13N3O6S/c15-24(21,22)10-6-4-9(5-7-10)8-23-17-13(18)11-2-1-3-12(16-11)14(19)20/h1-7H,8H2,(H,17,18)(H,19,20)(H2,15,21,22)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079037
PNG
(6-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-py...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2cccc(n2)C(O)=O)s1
Show InChI InChI=1S/C9H7N5O5S2/c10-21(18,19)9-14-13-8(20-9)12-6(15)4-2-1-3-5(11-4)7(16)17/h1-3H,(H,16,17)(H2,10,18,19)(H,12,13,15)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079038
PNG
(6-(2-Chloro-4-sulfamoyl-phenylcarbamoyl)-pyridine-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(n2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C13H10ClN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50079043
PNG
(4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid d...)
Show SMILES Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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