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Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'chojnacki' and Initial = 'j'   
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 12


(Homo sapiens (Human))
BDBM50495120
PNG
(CHEMBL3104369)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C17H17ClN6O4S4/c1-10-7-14(13(8-12(10)18)29-9-11-5-3-2-4-6-11)32(27,28)24-15(19)21-16-22-23-17(30-16)31(20,25)26/h2-8H,9H2,1H3,(H2,20,25,26)(H3,19,21,22,24)
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0.960n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM11034
PNG
(1-pentafluorophenylamido-5-sulfonamidoindane | 2,3...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H11F5N2O3S/c17-11-10(12(18)14(20)15(21)13(11)19)16(24)23-9-4-1-6-5-7(27(22,25)26)2-3-8(6)9/h2-3,5,9H,1,4H2,(H,23,24)(H2,22,25,26)
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3.20n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of CA9 (unknown origin)


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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3.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(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)/b7-4+
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3.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495120
PNG
(CHEMBL3104369)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C17H17ClN6O4S4/c1-10-7-14(13(8-12(10)18)29-9-11-5-3-2-4-6-11)32(27,28)24-15(19)21-16-22-23-17(30-16)31(20,25)26/h2-8H,9H2,1H3,(H2,20,25,26)(H3,19,21,22,24)
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4.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50495112
PNG
(CHEMBL3104368)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H23ClN4O4S3/c1-15-11-21(20(12-19(15)23)32-14-17-5-3-2-4-6-17)34(30,31)27-22(24)26-13-16-7-9-18(10-8-16)33(25,28)29/h2-12H,13-14H2,1H3,(H3,24,26,27)(H2,25,28,29)
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5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50495114
PNG
(CHEMBL3104367)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H22ClN5O4S3/c1-14-11-20(19(12-18(14)22)32-13-15-5-3-2-4-6-15)34(30,31)27-21(23)26-25-16-7-9-17(10-8-16)33(24,28)29/h2-12,25H,13H2,1H3,(H3,23,26,27)(H2,24,28,29)
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6.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50495136
PNG
(CHEMBL3104054)
Show SMILES Cc1cc(c(SCc2cccc(c2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H16ClF3N6O4S4/c1-9-5-14(36(31,32)28-15(23)25-16-26-27-17(34-16)35(24,29)30)13(7-12(9)19)33-8-10-3-2-4-11(6-10)18(20,21)22/h2-7H,8H2,1H3,(H2,24,29,30)(H3,23,25,26,28)
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6.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495116
PNG
(CHEMBL3104060)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H16ClF3N6O4S4/c1-9-6-14(36(31,32)28-15(23)25-16-26-27-17(34-16)35(24,29)30)13(7-12(9)19)33-8-10-2-4-11(5-3-10)18(20,21)22/h2-7H,8H2,1H3,(H2,24,29,30)(H3,23,25,26,28)
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7.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50495116
PNG
(CHEMBL3104060)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H16ClF3N6O4S4/c1-9-6-14(36(31,32)28-15(23)25-16-26-27-17(34-16)35(24,29)30)13(7-12(9)19)33-8-10-2-4-11(5-3-10)18(20,21)22/h2-7H,8H2,1H3,(H2,24,29,30)(H3,23,25,26,28)
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8.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495114
PNG
(CHEMBL3104367)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H22ClN5O4S3/c1-14-11-20(19(12-18(14)22)32-13-15-5-3-2-4-6-15)34(30,31)27-21(23)26-25-16-7-9-17(10-8-16)33(24,28)29/h2-12,25H,13H2,1H3,(H3,23,26,27)(H2,24,28,29)
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8.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495120
PNG
(CHEMBL3104369)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C17H17ClN6O4S4/c1-10-7-14(13(8-12(10)18)29-9-11-5-3-2-4-6-11)32(27,28)24-15(19)21-16-22-23-17(30-16)31(20,25)26/h2-8H,9H2,1H3,(H2,20,25,26)(H3,19,21,22,24)
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8.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495127
PNG
(CHEMBL3104155)
Show SMILES Cc1cc(c(SCc2cccc3ccccc23)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C21H19ClN6O4S4/c1-12-9-18(36(31,32)28-19(23)25-20-26-27-21(34-20)35(24,29)30)17(10-16(12)22)33-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H2,24,29,30)(H3,23,25,26,28)
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9.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495136
PNG
(CHEMBL3104054)
Show SMILES Cc1cc(c(SCc2cccc(c2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H16ClF3N6O4S4/c1-9-5-14(36(31,32)28-15(23)25-16-26-27-17(34-16)35(24,29)30)13(7-12(9)19)33-8-10-3-2-4-11(6-10)18(20,21)22/h2-7H,8H2,1H3,(H2,24,29,30)(H3,23,25,26,28)
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9.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495116
PNG
(CHEMBL3104060)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H16ClF3N6O4S4/c1-9-6-14(36(31,32)28-15(23)25-16-26-27-17(34-16)35(24,29)30)13(7-12(9)19)33-8-10-2-4-11(5-3-10)18(20,21)22/h2-7H,8H2,1H3,(H2,24,29,30)(H3,23,25,26,28)
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10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50495127
PNG
(CHEMBL3104155)
Show SMILES Cc1cc(c(SCc2cccc3ccccc23)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C21H19ClN6O4S4/c1-12-9-18(36(31,32)28-19(23)25-20-26-27-21(34-20)35(24,29)30)17(10-16(12)22)33-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10H,11H2,1H3,(H2,24,29,30)(H3,23,25,26,28)
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11n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495136
PNG
(CHEMBL3104054)
Show SMILES Cc1cc(c(SCc2cccc(c2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H16ClF3N6O4S4/c1-9-5-14(36(31,32)28-15(23)25-16-26-27-17(34-16)35(24,29)30)13(7-12(9)19)33-8-10-3-2-4-11(6-10)18(20,21)22/h2-7H,8H2,1H3,(H2,24,29,30)(H3,23,25,26,28)
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12n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495139
PNG
(CHEMBL3104365)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C21H21ClN4O4S3/c1-14-10-20(19(12-18(14)22)31-13-15-6-3-2-4-7-15)33(29,30)26-21(23)25-16-8-5-9-17(11-16)32(24,27)28/h2-12H,13H2,1H3,(H3,23,25,26)(H2,24,27,28)
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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495112
PNG
(CHEMBL3104368)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H23ClN4O4S3/c1-15-11-21(20(12-19(15)23)32-14-17-5-3-2-4-6-17)34(30,31)27-22(24)26-13-16-7-9-18(10-8-16)33(25,28)29/h2-12H,13-14H2,1H3,(H3,24,26,27)(H2,25,28,29)
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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(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)/b7-4+
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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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15n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495119
PNG
(CHEMBL3104059)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H22ClF3N4O4S3/c1-14-10-21(20(11-19(14)24)36-13-16-2-6-17(7-3-16)23(25,26)27)38(34,35)31-22(28)30-12-15-4-8-18(9-5-15)37(29,32)33/h2-11H,12-13H2,1H3,(H3,28,30,31)(H2,29,32,33)
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15n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495135
PNG
(CHEMBL3104058)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H21ClF3N5O4S3/c1-13-10-20(19(11-18(13)23)36-12-14-2-4-15(5-3-14)22(24,25)26)38(34,35)31-21(27)30-29-16-6-8-17(9-7-16)37(28,32)33/h2-11,29H,12H2,1H3,(H3,27,30,31)(H2,28,32,33)
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15n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495108
PNG
(CHEMBL3104050)
Show SMILES Cc1cc(c(SCc2cccc(c2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C22H20ClF3N4O4S3/c1-13-8-20(19(11-18(13)23)35-12-14-4-2-5-15(9-14)22(24,25)26)37(33,34)30-21(27)29-16-6-3-7-17(10-16)36(28,31)32/h2-11H,12H2,1H3,(H3,27,29,30)(H2,28,31,32)
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16n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495137
PNG
(CHEMBL3104053)
Show SMILES Cc1cc(c(SCc2cccc(c2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H22ClF3N4O4S3/c1-14-9-21(20(11-19(14)24)36-13-16-3-2-4-17(10-16)23(25,26)27)38(34,35)31-22(28)30-12-15-5-7-18(8-6-15)37(29,32)33/h2-11H,12-13H2,1H3,(H3,28,30,31)(H2,29,32,33)
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17n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50495139
PNG
(CHEMBL3104365)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C21H21ClN4O4S3/c1-14-10-20(19(12-18(14)22)31-13-15-6-3-2-4-7-15)33(29,30)26-21(23)25-16-8-5-9-17(11-16)32(24,27)28/h2-12H,13H2,1H3,(H3,23,25,26)(H2,24,27,28)
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18n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495128
PNG
(CHEMBL3104065)
Show SMILES Cc1cc(c(SCc2cccc3ccccc23)cc1Cl)S(=O)(=O)NC(=N)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C26H25ClN4O4S3/c1-17-13-25(24(14-23(17)27)36-16-20-7-4-6-19-5-2-3-8-22(19)20)38(34,35)31-26(28)30-15-18-9-11-21(12-10-18)37(29,32)33/h2-14H,15-16H2,1H3,(H3,28,30,31)(H2,29,32,33)
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18n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495119
PNG
(CHEMBL3104059)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H22ClF3N4O4S3/c1-14-10-21(20(11-19(14)24)36-13-16-2-6-17(7-3-16)23(25,26)27)38(34,35)31-22(28)30-12-15-4-8-18(9-5-15)37(29,32)33/h2-11H,12-13H2,1H3,(H3,28,30,31)(H2,29,32,33)
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18n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50495123
PNG
(CHEMBL3104364)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H21ClN4O4S3/c1-14-11-20(19(12-18(14)22)31-13-15-5-3-2-4-6-15)33(29,30)26-21(23)25-16-7-9-17(10-8-16)32(24,27)28/h2-12H,13H2,1H3,(H3,23,25,26)(H2,24,27,28)
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19n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495113
PNG
(CHEMBL3104052)
Show SMILES Cc1cc(c(SCc2cccc(c2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H21ClF3N5O4S3/c1-13-9-20(19(11-18(13)23)36-12-14-3-2-4-15(10-14)22(24,25)26)38(34,35)31-21(27)30-29-16-5-7-17(8-6-16)37(28,32)33/h2-11,29H,12H2,1H3,(H3,27,30,31)(H2,28,32,33)
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21n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495112
PNG
(CHEMBL3104368)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H23ClN4O4S3/c1-15-11-21(20(12-19(15)23)32-14-17-5-3-2-4-6-17)34(30,31)27-22(24)26-13-16-7-9-18(10-8-16)33(25,28)29/h2-12H,13-14H2,1H3,(H3,24,26,27)(H2,25,28,29)
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21n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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22n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495135
PNG
(CHEMBL3104058)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H21ClF3N5O4S3/c1-13-10-20(19(11-18(13)23)36-12-14-2-4-15(5-3-14)22(24,25)26)38(34,35)31-21(27)30-29-16-6-8-17(9-7-16)37(28,32)33/h2-11,29H,12H2,1H3,(H3,27,30,31)(H2,28,32,33)
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23n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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24n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50493327
PNG
(CHEMBL1232755)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(4.62,-11.02,;5.39,-9.69,;6.72,-10.46,;6.16,-8.36,;4.06,-8.92,;2.72,-9.69,;1.39,-8.92,;1.39,-7.38,;.06,-6.61,;.06,-5.07,;-1.28,-4.3,;-1.28,-2.76,;.06,-1.99,;-2.61,-1.99,;-2.61,-.45,;-3.95,.32,;-3.95,1.86,;-2.61,2.63,;-1.28,1.86,;-1.28,.32,;.06,2.63,;.96,3.87,;1.39,1.86,;-2.61,4.17,;-1.28,4.94,;.06,4.17,;1.39,4.94,;1.39,6.48,;2.72,7.25,;.06,7.25,;-1.28,6.48,;-2.61,7.25,;-3.95,6.48,;-5.28,7.25,;-6.61,6.48,;-7.95,7.25,;-6.61,4.94,;-5.28,4.17,;-3.95,4.94,;2.72,-6.61,;4.06,-7.38,)|
Show InChI InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40)
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24n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of CA9 (unknown origin)


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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25n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA1 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
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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25n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495114
PNG
(CHEMBL3104367)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H22ClN5O4S3/c1-14-11-20(19(12-18(14)22)32-13-15-5-3-2-4-6-15)34(30,31)27-21(23)26-25-16-7-9-17(10-8-16)33(24,28)29/h2-12,25H,13H2,1H3,(H3,23,26,27)(H2,24,28,29)
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26n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495123
PNG
(CHEMBL3104364)
Show SMILES Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H21ClN4O4S3/c1-14-11-20(19(12-18(14)22)31-13-15-5-3-2-4-6-15)33(29,30)26-21(23)25-16-7-9-17(10-8-16)32(24,27)28/h2-12H,13H2,1H3,(H3,23,25,26)(H2,24,27,28)
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26n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50495135
PNG
(CHEMBL3104058)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H21ClF3N5O4S3/c1-13-10-20(19(11-18(13)23)36-12-14-2-4-15(5-3-14)22(24,25)26)38(34,35)31-21(27)30-29-16-6-8-17(9-7-16)37(28,32)33/h2-11,29H,12H2,1H3,(H3,27,30,31)(H2,28,32,33)
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26n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495122
PNG
(CHEMBL3104056)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C22H20ClF3N4O4S3/c1-13-9-20(19(11-18(13)23)35-12-14-5-7-15(8-6-14)22(24,25)26)37(33,34)30-21(27)29-16-3-2-4-17(10-16)36(28,31)32/h2-11H,12H2,1H3,(H3,27,29,30)(H2,28,31,32)
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26n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(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)/b7-4+
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27n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495111
PNG
(CHEMBL3104055)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H20ClF3N4O4S3/c1-13-10-20(19(11-18(13)23)35-12-14-2-4-15(5-3-14)22(24,25)26)37(33,34)30-21(27)29-16-6-8-17(9-7-16)36(28,31)32/h2-11H,12H2,1H3,(H3,27,29,30)(H2,28,31,32)
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27n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50495119
PNG
(CHEMBL3104059)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H22ClF3N4O4S3/c1-14-10-21(20(11-19(14)24)36-13-16-2-6-17(7-3-16)23(25,26)27)38(34,35)31-22(28)30-12-15-4-8-18(9-5-15)37(29,32)33/h2-11H,12-13H2,1H3,(H3,28,30,31)(H2,29,32,33)
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28n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50495128
PNG
(CHEMBL3104065)
Show SMILES Cc1cc(c(SCc2cccc3ccccc23)cc1Cl)S(=O)(=O)NC(=N)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C26H25ClN4O4S3/c1-17-13-25(24(14-23(17)27)36-16-20-7-4-6-19-5-2-3-8-22(19)20)38(34,35)31-26(28)30-15-18-9-11-21(12-10-18)37(29,32)33/h2-14H,15-16H2,1H3,(H3,28,30,31)(H2,29,32,33)
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28n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50495130
PNG
(CHEMBL3104061)
Show SMILES Cc1cc(c(SCc2cccc3ccccc23)cc1Cl)S(=O)(=O)NC(=N)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H23ClN4O4S3/c1-16-13-24(37(33,34)30-25(27)29-19-9-11-20(12-10-19)36(28,31)32)23(14-22(16)26)35-15-18-7-4-6-17-5-2-3-8-21(17)18/h2-14H,15H2,1H3,(H3,27,29,30)(H2,28,31,32)
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28n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495122
PNG
(CHEMBL3104056)
Show SMILES Cc1cc(c(SCc2ccc(cc2)C(F)(F)F)cc1Cl)S(=O)(=O)NC(=N)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C22H20ClF3N4O4S3/c1-13-9-20(19(11-18(13)23)35-12-14-5-7-15(8-6-14)22(24,25)26)37(33,34)30-21(27)29-16-3-2-4-17(10-16)36(28,31)32/h2-11H,12H2,1H3,(H3,27,29,30)(H2,28,31,32)
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29n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
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