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Compile Data Set for Download or QSAR

Found 199 hits of ic50 for UniProtKB: Q16790   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | 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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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


Eur J Med Chem 62: 597-604 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.030
BindingDB Entry DOI: 10.7270/Q2X92CNX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Eur J Med Chem 62: 597-604 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.030
BindingDB Entry DOI: 10.7270/Q2X92CNX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Eur J Med Chem 62: 597-604 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.030
BindingDB Entry DOI: 10.7270/Q2X92CNX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50248709
PNG
(CHEMBL4103517)
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n/an/a 7n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL




Eur J Med Chem 132: 1-10 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Eur J Med Chem 62: 597-604 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.030
BindingDB Entry DOI: 10.7270/Q2X92CNX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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...


J Med Chem 47: 550-7 (2004)


Article DOI: 10.1021/jm030912m
BindingDB Entry DOI: 10.7270/Q2W957DZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004961
PNG
(CHEMBL2392428)
Show SMILES CC1=NN(C(=O)\C1=C/C=C/c1ccccc1)c1ccc(cc1)S(N)(=O)=O |t:1|
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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Eur J Med Chem 62: 597-604 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.030
BindingDB Entry DOI: 10.7270/Q2X92CNX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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 |r,c:17,21,23|
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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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)


BindingDB Entry DOI: 10.7270/Q2XP73KD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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...


J Med Chem 47: 550-7 (2004)


Article DOI: 10.1021/jm030912m
BindingDB Entry DOI: 10.7270/Q2W957DZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Eur J Med Chem 62: 597-604 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.030
BindingDB Entry DOI: 10.7270/Q2X92CNX
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Eur J Med Chem 62: 597-604 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.030
BindingDB Entry DOI: 10.7270/Q2X92CNX
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 30n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL




Eur J Med Chem 132: 1-10 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50248718
PNG
(CHEMBL4075252)
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n/an/a 33n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL




Eur J Med Chem 132: 1-10 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50248710
PNG
(CHEMBL4070358)
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n/an/a 37n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL




Eur J Med Chem 132: 1-10 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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 |c:14,16,21,25,27,t:12|
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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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)


BindingDB Entry DOI: 10.7270/Q2XP73KD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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 |c:24,26,31,35,37,t:22|
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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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)


BindingDB Entry DOI: 10.7270/Q2XP73KD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50248719
PNG
(CHEMBL4096770)
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n/an/a 46n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL




Eur J Med Chem 132: 1-10 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50248708
PNG
(CHEMBL4090618)
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n/an/a 60n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL




Eur J Med Chem 132: 1-10 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.023
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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)


Bioorg Med Chem Lett 23: 3496-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.048
BindingDB Entry DOI: 10.7270/Q2GH9KFD
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
BindingDB Entry DOI: 10.7270/Q20003Q8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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


Bioorg Med Chem Lett 18: 1898-903 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.008
BindingDB Entry DOI: 10.7270/Q2RN37M3
More data for this
Ligand-Target Pair
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