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Compile Data Set for Download or QSAR

Found 3369 hits Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase IX'   
Target
(Institution)
LigandTarget
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 anhydrases; II & IX


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
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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PubMed
n/an/a 0.25n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50430551
PNG
(CHEMBL2336905)
Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C21H19N5O4S2/c1-13-6-7-14(12-19(13)32(23,29)30)20-17-4-2-3-5-18(17)21(26-25-20)24-15-8-10-16(11-9-15)31(22,27)28/h2-12H,1H3,(H,24,26)(H2,22,27,28)(H2,23,29,30)
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n/an/a 0.480n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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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n/an/a 0.990n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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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n/an/a 2.60n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50005003
PNG
(CHEMBL2392423)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H13N3O3S2/c15-22(19,20)12-8-6-11(7-9-12)16-14(21)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,21)
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n/an/a 2.90n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50005002
PNG
(CHEMBL2392424)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cccc1\C=C1\C(=O)NN(C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H15FN4O4S/c21-13-3-5-15(6-4-13)25-20(27)18(19(26)23-25)12-16-2-1-11-24(16)14-7-9-17(10-8-14)30(22,28)29/h1-12H,(H,23,26)(H2,22,28,29)/b18-12-
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n/an/a 3.10n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50430550
PNG
(CHEMBL2336906)
Show SMILES Cc1cc(ccc1S(N)(=O)=O)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C21H19N5O4S2/c1-13-12-14(6-11-19(13)32(23,29)30)20-17-4-2-3-5-18(17)21(26-25-20)24-15-7-9-16(10-8-15)31(22,27)28/h2-12H,1H3,(H,24,26)(H2,22,27,28)(H2,23,29,30)
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n/an/a 3.30n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50005000
PNG
(CHEMBL2392425)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1\NC(=O)\C(S1)=C\c1cc(O)ccc1Br
Show InChI InChI=1S/C16H12BrN3O4S2/c17-13-6-3-11(21)7-9(13)8-14-15(22)20-16(25-14)19-10-1-4-12(5-2-10)26(18,23)24/h1-8,21H,(H2,18,23,24)(H,19,20,22)/b14-8-
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n/an/a 4.5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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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n/an/a 7.70n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50004999
PNG
(CHEMBL1387347)
Show SMILES NS(=O)(=O)c1cc(C(=O)NCCOc2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C15H14Cl2N2O4S/c16-12-9-13(17)14(24(18,21)22)8-11(12)15(20)19-6-7-23-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)(H2,18,21,22)
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n/an/a 10n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50004998
PNG
(CHEMBL2392426)
Show SMILES Cc1ccc(cc1)N1NC(=O)\C(=C\c2cccn2-c2ccc(cc2)S(N)(=O)=O)C1=O
Show InChI InChI=1S/C21H18N4O4S/c1-14-4-6-16(7-5-14)25-21(27)19(20(26)23-25)13-17-3-2-12-24(17)15-8-10-18(11-9-15)30(22,28)29/h2-13H,1H3,(H,23,26)(H2,22,28,29)/b19-13-
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n/an/a 15n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 16n/an/an/an/a7.520



University of Marburg



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 16n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against carbonic anhydrase IX


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50430552
PNG
(CHEMBL2336904)
Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3cccc(c3)S(N)(=O)=O)c3ccccc23)cc1
Show InChI InChI=1S/C20H17N5O4S2/c21-30(26,27)15-10-8-14(9-11-15)23-20-18-7-2-1-6-17(18)19(24-25-20)13-4-3-5-16(12-13)31(22,28)29/h1-12H,(H,23,25)(H2,21,26,27)(H2,22,28,29)
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n/an/a 19n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50004997
PNG
(CHEMBL2392427)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H20N2O2S/c20-24(22,23)18-10-8-15(9-11-18)12-13-21-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,21H,12-14H2,(H2,20,22,23)
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n/an/a 19n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50004961
PNG
(CHEMBL2392428)
Show SMILES CC1=NN(C(=O)\C1=C/C=C/c1ccccc1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H17N3O3S/c1-14-18(9-5-8-15-6-3-2-4-7-15)19(23)22(21-14)16-10-12-17(13-11-16)26(20,24)25/h2-13H,1H3,(H2,20,24,25)/b8-5+,18-9-
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n/an/a 19n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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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n/an/a 21n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50004959
PNG
(CHEMBL2392429)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C17H15N3O5S/c18-26(24,25)14-6-4-12(5-7-14)19-17(23)11-2-1-3-13(10-11)20-15(21)8-9-16(20)22/h1-7,10H,8-9H2,(H,19,23)(H2,18,24,25)
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n/an/a 22n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM103909
PNG
(JNK3 inhibitor 6 | US8562945, 242)
Show SMILES NOOSc1ccc(CC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1
Show InChI InChI=1S/C16H19N3O4S.Re/c17-22-23-24-15-6-4-13(5-7-15)8-10-19(12-16(20)21)11-14-3-1-2-9-18-14;/h1-7,9H,8,10-12,17H2,(H,20,21);/q;+1/p-1
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US Patent
n/an/a 23n/an/an/an/a7.425



Molecular Insight Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.


US Patent US8562945 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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n/an/a 27n/an/an/an/a7.520



University of Marburg



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50004958
PNG
(CHEMBL2392430)
Show SMILES NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)c1
Show InChI InChI=1S/C17H13N3O5S2/c18-26(22,23)11-4-1-3-10(9-11)20-27(24,25)15-8-7-14-16-12(15)5-2-6-13(16)17(21)19-14/h1-9,20H,(H,19,21)(H2,18,22,23)
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n/an/a 28n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50430540
PNG
(CHEMBL2336902)
Show SMILES Nc1ccc(Nc2nnc(-c3cccc(c3)S(N)(=O)=O)c3ccccc23)cc1
Show InChI InChI=1S/C20H17N5O2S/c21-14-8-10-15(11-9-14)23-20-18-7-2-1-6-17(18)19(24-25-20)13-4-3-5-16(12-13)28(22,26)27/h1-12H,21H2,(H,23,25)(H2,22,26,27)
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n/an/a 28n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50430539
PNG
(CHEMBL2336903)
Show SMILES CC(C)(C)c1ccc(Nc2nnc(-c3cccc(c3)S(N)(=O)=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H24N4O2S/c1-24(2,3)17-11-13-18(14-12-17)26-23-21-10-5-4-9-20(21)22(27-28-23)16-7-6-8-19(15-16)31(25,29)30/h4-15H,1-3H3,(H,26,28)(H2,25,29,30)
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n/an/a 29n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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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n/an/a 32n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(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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n/an/a 36.2n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 in presence of 0.01 mM tris(carboxyethyl)phosphine


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(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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n/an/a 36.7n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 in presence of 0.01 mM threitol


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM103908
PNG
(JNK3 inhibitor 5 | US8562945, 241)
Show SMILES NOOSc1ccc(CC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1
Show InChI InChI=1S/C20H22N4O2S.Re/c21-25-26-27-20-9-7-17(8-10-20)11-14-24(15-18-5-1-3-12-22-18)16-19-6-2-4-13-23-19;/h1-10,12-13H,11,14-16,21H2;/q;+1
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US Patent
n/an/a 40n/an/an/an/a7.425



Molecular Insight Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.


US Patent US8562945 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM103911
PNG
(JNK3 inhibitor 8 | US8562945, 246)
Show SMILES NOOSc1ccc(NC(=S)NCCCCCCCC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1
Show InChI InChI=1S/C27H36N6O2S2.Re/c28-34-35-37-26-15-13-23(14-16-26)32-27(36)31-19-7-3-1-2-4-10-20-33(21-24-11-5-8-17-29-24)22-25-12-6-9-18-30-25;/h5-6,8-9,11-18H,1-4,7,10,19-22,28H2,(H2,31,32,36);/q;+1
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US Patent
n/an/a 42n/an/an/an/a7.425



Molecular Insight Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.


US Patent US8562945 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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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n/an/a 42.1n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 in presence of 0.01 mM beta-mercaptoethanol


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(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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n/an/a 44.3n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.01 mM beta-mercaptoethanol


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(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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n/an/a 48.7n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 in presence of 0.05 mM tris(carboxyethyl)phosphine


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(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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n/an/a 52.5n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 in presence of 0.05 mM threitol


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(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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n/an/a 53.4n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 in presence of 0.10 mM tris(carboxyethyl)phosphine


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(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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n/an/a 54n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 in presence of 0.05 mM beta-mercaptoethanol


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(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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n/an/a 56.7n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 in presence of 0.10 mM threitol


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(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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n/an/a 65.2n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 in presence of 0.25 mM tris(carboxyethyl)phosphine


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50004957
PNG
(CHEMBL2392431)
Show SMILES COc1ccc(Cl)cc1CNCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19ClN2O3S/c1-22-16-7-4-14(17)10-13(16)11-19-9-8-12-2-5-15(6-3-12)23(18,20)21/h2-7,10,19H,8-9,11H2,1H3,(H2,18,20,21)
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n/an/a 68n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50046166
PNG
(CHEMBL3310984)
Show SMILES CCCC(C)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C12H19NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3
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n/an/a 70n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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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n/an/a 73n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50046169
PNG
(CHEMBL3310985)
Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H13NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-10,15H,1H3
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n/an/a 74n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50046167
PNG
(CHEMBL1332361)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
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n/an/a 76n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50018645
PNG
(CHEMBL3291007)
Show SMILES OP(O)(=O)C(NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C7H10N2O10P2S/c10-9(11)5-1-3-6(4-2-5)22(18,19)8-7(20(12,13)14)21(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17)
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n/an/a 78n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50046170
PNG
(CHEMBL1533910)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H15NO4S/c1-18-13-9-8-12(10-14(13)19-2)20(16,17)15-11-6-4-3-5-7-11/h3-10,15H,1-2H3
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n/an/a 79n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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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n/an/a 82n/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.01 mM dithiothreitol


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50018669
PNG
(CHEMBL3291012)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H17NO9P2S/c1-24-12-6-2-10(3-7-12)11-4-8-13(9-5-11)27(22,23)15-14(25(16,17)18)26(19,20)21/h2-9,14-15H,1H3,(H2,16,17,18)(H2,19,20,21)
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n/an/a 84n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50018641
PNG
(CHEMBL3291006)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H13NO9P2S/c1-18-6-2-4-7(5-3-6)21(16,17)9-8(19(10,11)12)20(13,14)15/h2-5,8-9H,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 90n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pretreated for 15 mins by stopped flow CO2 hydrase assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM46912
PNG
(4-methyl-N-(2-phenylphenyl)benzenesulfonamide | ML...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-15-11-13-17(14-12-15)23(21,22)20-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,20H,1H3
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n/an/a 90n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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n/an/a 90n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (human))
BDBM50046168
PNG
(CHEMBL1372946)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H15NO2S/c1-12-8-10-14(11-9-12)18(16,17)15(2)13-6-4-3-5-7-13/h3-11H,1-2H3
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n/an/a 93n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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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n/an/a 94n/an/an/an/an/an/a



Universit£ degli Studi 'Aldo Moro' di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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