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Compile Data Set for Download or QSAR

Found 2202 hits with Last Name = 'kazaks' and Initial = 'a'   
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))
BDBM50207820
PNG
(CHEMBL3985384)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1
Show InChI InChI=1S/C12H10F3NO3S3/c13-12(14,15)19-9-3-1-8(2-4-9)7-20-10-5-6-11(21-10)22(16,17)18/h1-6H,7H2,(H2,16,17,18)
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0.820n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207818
PNG
(CHEMBL3956725)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C12H10F3NO2S3/c13-12(14,15)9-3-1-8(2-4-9)7-19-10-5-6-11(20-10)21(16,17)18/h1-6H,7H2,(H2,16,17,18)
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0.940n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50207818
PNG
(CHEMBL3956725)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C12H10F3NO2S3/c13-12(14,15)9-3-1-8(2-4-9)7-19-10-5-6-11(20-10)21(16,17)18/h1-6H,7H2,(H2,16,17,18)
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1.5n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207820
PNG
(CHEMBL3985384)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1
Show InChI InChI=1S/C12H10F3NO3S3/c13-12(14,15)19-9-3-1-8(2-4-9)7-20-10-5-6-11(21-10)22(16,17)18/h1-6H,7H2,(H2,16,17,18)
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1.70n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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2.90n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207818
PNG
(CHEMBL3956725)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C12H10F3NO2S3/c13-12(14,15)9-3-1-8(2-4-9)7-19-10-5-6-11(20-10)21(16,17)18/h1-6H,7H2,(H2,16,17,18)
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3.70n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207737
PNG
(CHEMBL3928543)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(F)cc2)s1
Show InChI InChI=1S/C11H10FNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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4.40n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
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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5n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50271176
PNG
(CHEMBL4130085)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccccc1[N+]([O-])=O)C(C)=O |t:14|
Show InChI InChI=1S/C18H16N4O7S/c1-11(23)20-30(27,28)14-9-7-13(8-10-14)17-19-21(12(2)24)18(29-17)15-5-3-4-6-16(15)22(25)26/h3-10,18H,1-2H3,(H,20,23)
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5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...


ACS Med Chem Lett 8: 792-796 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00205
BindingDB Entry DOI: 10.7270/Q2FN18PV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207820
PNG
(CHEMBL3985384)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1
Show InChI InChI=1S/C12H10F3NO3S3/c13-12(14,15)19-9-3-1-8(2-4-9)7-20-10-5-6-11(21-10)22(16,17)18/h1-6H,7H2,(H2,16,17,18)
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5.10n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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5.20n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50271193
PNG
(CHEMBL4129969)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(C)cc1)C(C)=O |t:14|
Show InChI InChI=1S/C19H19N3O5S/c1-12-4-6-16(7-5-12)19-22(14(3)24)20-18(27-19)15-8-10-17(11-9-15)28(25,26)21-13(2)23/h4-11,19H,1-3H3,(H,21,23)
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5.20n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...


ACS Med Chem Lett 8: 792-796 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00205
BindingDB Entry DOI: 10.7270/Q2FN18PV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207844
PNG
(CHEMBL3912159)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2)s1
Show InChI InChI=1S/C11H11NO2S3/c12-17(13,14)11-7-6-10(16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14)
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5.40n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207843
PNG
(CHEMBL3956141)
Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H13NO3S3/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-12(18-11)19(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
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5.5n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
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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5.60n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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5.60n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-12 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by st...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...


ACS Med Chem Lett 8: 792-796 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00205
BindingDB Entry DOI: 10.7270/Q2FN18PV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50207815
PNG
(CHEMBL3977311)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc3ccccc3c2)s1
Show InChI InChI=1S/C15H13NO2S3/c16-21(17,18)15-8-7-14(20-15)19-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H2,16,17,18)
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5.90n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207843
PNG
(CHEMBL3956141)
Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H13NO3S3/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-12(18-11)19(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
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6.10n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50271194
PNG
(CHEMBL4127617)
Show SMILES COc1ccccc1C1OC(=NN1C(C)=O)c1ccc(cc1)S(=O)(=O)NC(C)=O |c:11|
Show InChI InChI=1S/C19H19N3O6S/c1-12(23)21-29(25,26)15-10-8-14(9-11-15)18-20-22(13(2)24)19(28-18)16-6-4-5-7-17(16)27-3/h4-11,19H,1-3H3,(H,21,23)
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6.20n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...


ACS Med Chem Lett 8: 792-796 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00205
BindingDB Entry DOI: 10.7270/Q2FN18PV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50271182
PNG
(CHEMBL4129897)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccccc1C)C(C)=O |t:14|
Show InChI InChI=1S/C19H19N3O5S/c1-12-6-4-5-7-17(12)19-22(14(3)24)20-18(27-19)15-8-10-16(11-9-15)28(25,26)21-13(2)23/h4-11,19H,1-3H3,(H,21,23)
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6.30n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...


ACS Med Chem Lett 8: 792-796 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00205
BindingDB Entry DOI: 10.7270/Q2FN18PV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50271198
PNG
(CHEMBL4126627)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1cccc(c1)[N+]([O-])=O)C(C)=O |t:14|
Show InChI InChI=1S/C18H16N4O7S/c1-11(23)20-30(27,28)16-8-6-13(7-9-16)17-19-21(12(2)24)18(29-17)14-4-3-5-15(10-14)22(25)26/h3-10,18H,1-2H3,(H,20,23)
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6.70n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...


ACS Med Chem Lett 8: 792-796 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00205
BindingDB Entry DOI: 10.7270/Q2FN18PV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50271202
PNG
(CHEMBL4126466)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(F)cc1F)C(C)=O |t:14|
Show InChI InChI=1S/C18H15F2N3O5S/c1-10(24)22-29(26,27)14-6-3-12(4-7-14)17-21-23(11(2)25)18(28-17)15-8-5-13(19)9-16(15)20/h3-9,18H,1-2H3,(H,22,24)
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6.80n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...


ACS Med Chem Lett 8: 792-796 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00205
BindingDB Entry DOI: 10.7270/Q2FN18PV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50271196
PNG
(CHEMBL4126396)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(F)cc1)C(C)=O |t:14|
Show InChI InChI=1S/C18H16FN3O5S/c1-11(23)21-28(25,26)16-9-5-13(6-10-16)17-20-22(12(2)24)18(27-17)14-3-7-15(19)8-4-14/h3-10,18H,1-2H3,(H,21,23)
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6.80n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...


ACS Med Chem Lett 8: 792-796 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00205
BindingDB Entry DOI: 10.7270/Q2FN18PV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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7n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426698
PNG
(CHEMBL2326518)
Show SMILES CCN(CC)Cc1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:20|
Show InChI InChI=1S/C15H18N4O3S/c1-3-18(4-2)10-13-11-19(17-16-13)14-5-6-15-12(9-14)7-8-23(20,21)22-15/h5-9,11H,3-4,10H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207842
PNG
(CHEMBL3939285)
Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
Show InChI InChI=1S/C13H15NO4S3/c1-17-10-5-9(6-11(7-10)18-2)8-19-12-3-4-13(20-12)21(14,15)16/h3-7H,8H2,1-2H3,(H2,14,15,16)
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7.5n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50207844
PNG
(CHEMBL3912159)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2)s1
Show InChI InChI=1S/C11H11NO2S3/c12-17(13,14)11-7-6-10(16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14)
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7.80n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50207845
PNG
(CHEMBL3968822)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2-c2ccccc2)s1
Show InChI InChI=1S/C17H15NO2S3/c18-23(19,20)17-11-10-16(22-17)21-12-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19,20)
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8.20n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207815
PNG
(CHEMBL3977311)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc3ccccc3c2)s1
Show InChI InChI=1S/C15H13NO2S3/c16-21(17,18)15-8-7-14(20-15)19-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-9H,10H2,(H2,16,17,18)
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8.30n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H13NO2S3/c1-9-2-4-10(5-3-9)8-16-11-6-7-12(17-11)18(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
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8.40n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426700
PNG
(CHEMBL2326516)
Show SMILES C[Si](C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:18|
Show InChI InChI=1S/C13H15N3O3SSi/c1-21(2,3)13-9-16(15-14-13)11-4-5-12-10(8-11)6-7-20(17,18)19-12/h4-9H,1-3H3
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9n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H13NO2S3/c1-9-2-4-10(5-3-9)8-16-11-6-7-12(17-11)18(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
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9.30n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50242141
PNG
(CHEMBL4090838)
Show SMILES O=C1N(CCc2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C15H13NO3S/c17-15-13-8-4-5-9-14(13)20(18,19)16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
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10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-12 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by st...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207845
PNG
(CHEMBL3968822)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2-c2ccccc2)s1
Show InChI InChI=1S/C17H15NO2S3/c18-23(19,20)17-11-10-16(22-17)21-12-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19,20)
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11n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H13NO2S3/c1-9-2-4-10(5-3-9)8-16-11-6-7-12(17-11)18(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
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11n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207737
PNG
(CHEMBL3928543)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(F)cc2)s1
Show InChI InChI=1S/C11H10FNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)
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11n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426702
PNG
(CHEMBL2326514)
Show SMILES COC(=O)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:18|
Show InChI InChI=1S/C12H9N3O5S/c1-19-12(16)10-7-15(14-13-10)9-2-3-11-8(6-9)4-5-21(17,18)20-11/h2-7H,1H3
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12n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
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



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


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



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50271184
PNG
(CHEMBL4128603)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1ccc(Cl)cc1)C(C)=O |t:14|
Show InChI InChI=1S/C18H16ClN3O5S/c1-11(23)21-28(25,26)16-9-5-13(6-10-16)17-20-22(12(2)24)18(27-17)14-3-7-15(19)8-4-14/h3-10,18H,1-2H3,(H,21,23)
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12n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...


ACS Med Chem Lett 8: 792-796 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00205
BindingDB Entry DOI: 10.7270/Q2FN18PV
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



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by sto...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


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



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...


ACS Med Chem Lett 8: 792-796 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00205
BindingDB Entry DOI: 10.7270/Q2FN18PV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426695
PNG
(CHEMBL2326521)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:25|
Show InChI InChI=1S/C17H10F3N3O3S/c18-17(19,20)13-3-1-2-11(8-13)15-10-23(22-21-15)14-4-5-16-12(9-14)6-7-27(24,25)26-16/h1-10H
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13n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426701
PNG
(CHEMBL2326515)
Show SMILES CCOC(=O)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C13H11N3O5S/c1-2-20-13(17)11-8-16(15-14-11)10-3-4-12-9(7-10)5-6-22(18,19)21-12/h3-8H,2H2,1H3
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13n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50207842
PNG
(CHEMBL3939285)
Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
Show InChI InChI=1S/C13H15NO4S3/c1-17-10-5-9(6-11(7-10)18-2)8-19-12-3-4-13(20-12)21(14,15)16/h3-7H,8H2,1-2H3,(H2,14,15,16)
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13n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50207819
PNG
(CHEMBL3894409)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C#N)s1
Show InChI InChI=1S/C12H10N2O2S3/c13-7-9-1-3-10(4-2-9)8-17-11-5-6-12(18-11)19(14,15)16/h1-6H,8H2,(H2,14,15,16)
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13n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50207843
PNG
(CHEMBL3956141)
Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H13NO3S3/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-12(18-11)19(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)
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13n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
BindingDB Entry DOI: 10.7270/Q2M61N7N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426697
PNG
(CHEMBL2326519)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:26|
Show InChI InChI=1S/C17H10F3N3O4S/c18-17(19,20)26-14-4-1-11(2-5-14)15-10-23(22-21-15)13-3-6-16-12(9-13)7-8-28(24,25)27-16/h1-10H
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14n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426699
PNG
(CHEMBL2326517)
Show SMILES OCc1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:16|
Show InChI InChI=1S/C11H9N3O4S/c15-7-9-6-14(13-12-9)10-1-2-11-8(5-10)3-4-19(16,17)18-11/h1-6,15H,7H2
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16n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
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