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PubMed code 27166574

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
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))
BDBM50174518
PNG
(CHEMBL3809038)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)
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0.900n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174426
PNG
(CHEMBL3808553)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H16ClN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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1n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174429
PNG
(CHEMBL3808953)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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1.5n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174441
PNG
(CHEMBL3809086)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H16BrN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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1.90n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174348
PNG
(CHEMBL3810298)
Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
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2.30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174426
PNG
(CHEMBL3808553)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H16ClN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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2.5n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174518
PNG
(CHEMBL3809038)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)
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2.70n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174429
PNG
(CHEMBL3808953)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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3.70n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174436
PNG
(CHEMBL3809966)
Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
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4.20n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174436
PNG
(CHEMBL3809966)
Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
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5.5n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

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



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174520
PNG
(CHEMBL3809267)
Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
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7.20n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174350
PNG
(CHEMBL3613514)
Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)
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7.30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174528
PNG
(CHEMBL3613534)
Show SMILES Clc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15ClN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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7.5n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174441
PNG
(CHEMBL3809086)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H16BrN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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7.60n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174418
PNG
(CHEMBL3613524)
Show SMILES Fc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15FN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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7.80n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174348
PNG
(CHEMBL3810298)
Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
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9.10n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174347
PNG
(CHEMBL3613544)
Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
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9.40n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

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



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174528
PNG
(CHEMBL3613534)
Show SMILES Clc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15ClN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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18n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174520
PNG
(CHEMBL3809267)
Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
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23n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

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



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174518
PNG
(CHEMBL3809038)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)
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25n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174436
PNG
(CHEMBL3809966)
Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
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32n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174441
PNG
(CHEMBL3809086)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H16BrN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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33n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174518
PNG
(CHEMBL3809038)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)
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34n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174429
PNG
(CHEMBL3808953)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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35n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174348
PNG
(CHEMBL3810298)
Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
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38n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174347
PNG
(CHEMBL3613544)
Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
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49n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174348
PNG
(CHEMBL3810298)
Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
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49n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174349
PNG
(CHEMBL3809848)
Show SMILES Brc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15BrN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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55n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174350
PNG
(CHEMBL3613514)
Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)
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56n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174418
PNG
(CHEMBL3613524)
Show SMILES Fc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15FN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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65n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174426
PNG
(CHEMBL3808553)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H16ClN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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70n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174349
PNG
(CHEMBL3809848)
Show SMILES Brc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15BrN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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73n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174429
PNG
(CHEMBL3808953)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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75n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174426
PNG
(CHEMBL3808553)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H16ClN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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88n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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250n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174436
PNG
(CHEMBL3809966)
Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
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554n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174441
PNG
(CHEMBL3809086)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H16BrN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)
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642n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174349
PNG
(CHEMBL3809848)
Show SMILES Brc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15BrN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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3.36E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174520
PNG
(CHEMBL3809267)
Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174347
PNG
(CHEMBL3613544)
Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174350
PNG
(CHEMBL3613514)
Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174350
PNG
(CHEMBL3613514)
Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174347
PNG
(CHEMBL3613544)
Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174520
PNG
(CHEMBL3809267)
Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174418
PNG
(CHEMBL3613524)
Show SMILES Fc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15FN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174418
PNG
(CHEMBL3613524)
Show SMILES Fc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15FN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174528
PNG
(CHEMBL3613534)
Show SMILES Clc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15ClN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174349
PNG
(CHEMBL3809848)
Show SMILES Brc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15BrN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174528
PNG
(CHEMBL3613534)
Show SMILES Clc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H15ClN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 2907-2913 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%