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Compile Data Set for Download or QSAR

Found 5681 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12'   
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))
BDBM50329836
PNG
(2-Chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfany...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2c(cnc3ccccc23)[nH]1
Show InChI InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26)
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0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492460
PNG
(CHEMBL2402776)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15ClN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.240n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50555722
PNG
(CHEMBL4793920)
Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNCCc2ccc(cc2)S(N)(=O)=O)cc1
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0.263n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 incubated for 15 mins by stopped- flow CO2 hydrase assay method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112478
BindingDB Entry DOI: 10.7270/Q2571GPQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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0.300n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3828-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.055
BindingDB Entry DOI: 10.7270/Q2C82B2K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Ki value against human carbonic anhydrase XII (hCA XII)


Bioorg Med Chem Lett 15: 963-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.053
BindingDB Entry DOI: 10.7270/Q29887RZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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0.300n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
BindingDB Entry DOI: 10.7270/Q22B8ZGK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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0.300n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM11028
PNG
(1-Acetamido-5-sulfonamidoindane | CHEMBL359768 | I...)
Show SMILES CC(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-11-5-2-8-6-9(17(12,15)16)3-4-10(8)11/h3-4,6,11H,2,5H2,1H3,(H,13,14)(H2,12,15,16)
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0.320n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50153971
PNG
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)
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0.350n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50566713
PNG
(CHEMBL4861411)
Show SMILES CN1CCN(CC1)c1nc(C)cc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)n1
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0.360n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 measured by stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128249
BindingDB Entry DOI: 10.7270/Q2DR308N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50155554
PNG
(5-Chloro-2-methoxy-N-(5-sulfamoyl-indan-2-yl)-benz...)
Show SMILES COc1ccc(Cl)cc1C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C17H17ClN2O4S/c1-24-16-5-3-12(18)9-15(16)17(21)20-13-6-10-2-4-14(25(19,22)23)8-11(10)7-13/h2-5,8-9,13H,6-7H2,1H3,(H,20,21)(H2,19,22,23)
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0.360n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50155556
PNG
(2,3-dihydro-1H-indene-5-sulfonamide | CHEMBL364869...)
Show SMILES NS(=O)(=O)c1ccc2CCCc2c1
Show InChI InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)
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0.390n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492476
PNG
(CHEMBL1518649)
Show SMILES COc1ccc(CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O4S/c1-23-15-6-2-14(3-7-15)12-17(20)19-11-10-13-4-8-16(9-5-13)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
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0.430n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50155552
PNG
(4-Chloro-N-(5-sulfamoyl-indan-2-yl)-benzamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN2O3S/c17-13-4-1-10(2-5-13)16(20)19-14-7-11-3-6-15(23(18,21)22)9-12(11)8-14/h1-6,9,14H,7-8H2,(H,19,20)(H2,18,21,22)
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0.440n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50106422
PNG
(CHEMBL3601892)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccs2)n1C1CCCCC1
Show InChI InChI=1S/C19H21N3O2S3/c20-27(23,24)16-10-8-14(9-11-16)21-19-22(15-5-2-1-3-6-15)17(13-26-19)18-7-4-12-25-18/h4,7-13,15H,1-3,5-6H2,(H2,20,23,24)/b21-19-
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0.460n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12


Bioorg Med Chem Lett 25: 3281-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.076
BindingDB Entry DOI: 10.7270/Q2RB76CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147171
PNG
(CHEMBL3764657)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O5S/c1-31-16-8-11-19-18(12-16)20(22(28)26-19)24-14-4-2-13(3-5-14)21(27)25-15-6-9-17(10-7-15)32(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
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0.470n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50107340
PNG
(CHEMBL3601395)
Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10|
Show InChI InChI=1S/C25H22BrClN6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37)
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0.470n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 25: 3208-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50190142
PNG
(CHEMBL3828241)
Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)
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0.470n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50395391
PNG
(CHEMBL2164737)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H23N5O7S3/c22-34(28,29)19-9-1-15(2-10-19)13-14-24-21(27)16-3-5-17(6-4-16)25-35(30,31)20-11-7-18(8-12-20)26-36(23,32)33/h1-12,25-26H,13-14H2,(H,24,27)(H2,22,28,29)(H2,23,32,33)
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0.5n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50185304
PNG
(Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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0.520n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00492
BindingDB Entry DOI: 10.7270/Q2HT2R80
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428841
PNG
(CHEMBL2337134)
Show SMILES COc1cc(OC)c(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(OC)c1
Show InChI InChI=1S/C19H19N3O6S/c1-26-14-9-17(27-2)16(18(10-14)28-3)8-12(11-20)19(23)22-13-4-6-15(7-5-13)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b12-8+
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0.530n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM152638
PNG
(4-(1,3-Dioxoisoindolin-2-yl)benzenesulphonamide (1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H24N4S/c35-30(33-21-8-2-1-3-9-21)34-22-16-14-20(15-17-22)29(25-18-31-27-12-6-4-10-23(25)27)26-19-32-28-13-7-5-11-24(26)28/h1-19,29,31-32H,(H2,33,34,35)
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0.530n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50190143
PNG
(CHEMBL3827651)
Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)
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0.540n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50190147
PNG
(CHEMBL3828207)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(Cl)cc3c2=O)cc1
Show InChI InChI=1S/C16H14ClN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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0.540n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171191
PNG
(CHEMBL3806054)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3cc(Cl)ccc3oc2=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H18ClFN6O4S2/c29-19-3-10-25-17(11-19)12-23(27(37)40-25)24-15-41-28(33-24)34-32-13-18-14-36(21-6-8-22(9-7-21)42(31,38)39)35-26(18)16-1-4-20(30)5-2-16/h1-15H,(H,33,34)(H2,31,38,39)/b32-13-
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0.540n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 2882-2886 (2016)


Article DOI: 10.1016/j.bmc.2016.04.052
BindingDB Entry DOI: 10.7270/Q2F47R2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171190
PNG
(CHEMBL3804902)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3ccccc3oc2=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H19FN6O4S2/c29-20-7-5-17(6-8-20)26-19(15-35(34-26)21-9-11-22(12-10-21)41(30,37)38)14-31-33-28-32-24(16-40-28)23-13-18-3-1-2-4-25(18)39-27(23)36/h1-16H,(H,32,33)(H2,30,37,38)/b31-14-
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0.540n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 2882-2886 (2016)


Article DOI: 10.1016/j.bmc.2016.04.052
BindingDB Entry DOI: 10.7270/Q2F47R2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50107373
PNG
(CHEMBL3601461)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9|
Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31)
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0.540n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 25: 3208-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147167
PNG
(CHEMBL3764098)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
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0.540n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492481
PNG
(CHEMBL2402754)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.540n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035682
PNG
(CHEMBL2377786)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H12N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2,(H2,16,20,21)
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0.550n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50566716
PNG
(CHEMBL4858154)
Show SMILES CCN1CCN(CC1)c1nc(C)cc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)n1
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0.550n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 measured by stopped flow CO2 hydrase assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128249
BindingDB Entry DOI: 10.7270/Q2DR308N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50508840
PNG
(CHEMBL4461878)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\O)s1
Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+
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0.560n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay


J Med Chem 62: 4174-4192 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035684
PNG
(CHEMBL2377784)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(C2=O)c1ccc(cc1)S(N)(=O)=O |r,c:3|
Show InChI InChI=1S/C14H14N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-2,5-8,11-12H,3-4H2,(H2,15,19,20)/t11-,12+
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0.570n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428844
PNG
(CHEMBL2337544)
Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H15N3O4S/c1-24-15-6-2-12(3-7-15)10-13(11-18)17(21)20-14-4-8-16(9-5-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+
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0.570n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492467
PNG
(CHEMBL2402756)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H15ClN2O3S/c16-13-5-1-11(2-6-13)9-15(19)18-10-12-3-7-14(8-4-12)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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0.570n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50107372
PNG
(CHEMBL3601462)
Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C21H19ClFN5O3S/c1-12-20(21(22)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(23)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31)
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0.570n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 25: 3208-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50245752
PNG
(CHEMBL4098958)
Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccc(I)cc2c1=O
Show InChI InChI=1S/C14H10IN3O3S2/c15-8-4-5-12-11(6-8)13(19)18(14(22)17-12)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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0.570n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2782-2788 (2017)


Article DOI: 10.1016/j.bmc.2017.03.054
BindingDB Entry DOI: 10.7270/Q24M96X2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50107375
PNG
(CHEMBL3601459)
Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C21H20ClN5O3S/c1-13-20(19-12-18(25-26(19)14(2)28)15-6-4-3-5-7-15)21(22)27(24-13)16-8-10-17(11-9-16)31(23,29)30/h3-11,19H,12H2,1-2H3,(H2,23,29,30)
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0.580n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 25: 3208-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.096
BindingDB Entry DOI: 10.7270/Q2PC345N
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146599
PNG
(CHEMBL3763192)
Show SMILES CC(C)c1ccccc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17NO2S/c1-11(2)14-5-3-4-6-15(14)12-7-9-13(10-8-12)19(16,17)18/h3-11H,1-2H3,(H2,16,17,18)
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0.580n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM210937
PNG
(4-(3-formylphenyl)-benzenesulfonamide (4e))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cccc(C=O)c1
Show InChI InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17)
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PubMed
0.580n/an/an/an/an/an/an/an/a



Universit£ de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay


J Med Chem 59: 721-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01771
BindingDB Entry DOI: 10.7270/Q2K0764T
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147168
PNG
(CHEMBL3765057)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H15BrN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
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0.580n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50190134
PNG
(CHEMBL1433252)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H15N3O3S2/c17-24(21,22)12-7-5-11(6-8-12)9-10-19-15(20)13-3-1-2-4-14(13)18-16(19)23/h1-8H,9-10H2,(H,18,23)(H2,17,21,22)
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0.590n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50054653
PNG
(CHEMBL3323211)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12ClN5O7S2/c14-11-6-5-10(7-12(11)19(21)22)28(25,26)18-17-13(20)16-8-1-3-9(4-2-8)27(15,23)24/h1-7,18H,(H2,15,23,24)(H2,16,17,20)
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0.590n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428843
PNG
(CHEMBL2337132)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC
Show InChI InChI=1S/C19H19N3O6S/c1-26-16-9-12(10-17(27-2)18(16)28-3)8-13(11-20)19(23)22-14-4-6-15(7-5-14)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b13-8+
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0.590n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50540944
PNG
(CHEMBL4637053)
Show SMILES NCCCN(CCc1ccccc1)CC(=O)N(CCc1ccc(cc1)S(N)(=O)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C28H35FN4O3S/c29-26-11-7-25(8-12-26)21-33(20-16-24-9-13-27(14-10-24)37(31,35)36)28(34)22-32(18-4-17-30)19-15-23-5-2-1-3-6-23/h1-3,5-14H,4,15-22,30H2,(H2,31,35,36)
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0.600n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis


J Med Chem 63: 7422-7444 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00733
BindingDB Entry DOI: 10.7270/Q2BV7M64
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428845
PNG
(CHEMBL1594453)
Show SMILES COc1ccccc1\C=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H15N3O4S/c1-24-16-5-3-2-4-12(16)10-13(11-18)17(21)20-14-6-8-15(9-7-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+
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0.600n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM210937
PNG
(4-(3-formylphenyl)-benzenesulfonamide (4e))
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cccc(C=O)c1
Show InChI InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17)
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0.600n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...


Chembiochem 18: 213-222 (2017)


Article DOI: 10.1002/cbic.201600513
BindingDB Entry DOI: 10.7270/Q27H1HFC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147752
PNG
(CHEMBL3763877)
Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC
Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23)
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0.600n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035674
PNG
(CHEMBL2377770)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C14H6Cl4N2O4S/c15-9-7-8(10(16)12(18)11(9)17)14(22)20(13(7)21)5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)
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0.600n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50147759
PNG
(CHEMBL3765657)
Show SMILES Cc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O3S2/c1-9-3-2-4-12-13(9)17-15(22)18(14(12)19)10-5-7-11(8-6-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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0.600n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
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