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PubMed code 25456084

Compile data set for download or QSAR
Found 100 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 2


(Homo sapiens (Human))
BDBM50037239
PNG
(CHEMBL3352855)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O4S2/c1-10-2-4-11(5-3-10)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(28(19,25)26)8-15(14)27-18/h2-9H,1H3,(H,23,24)(H2,19,25,26)
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2.30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037243
PNG
(CHEMBL3356263)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O4S2/c18-27(24,25)11-6-7-13-14(8-11)26-17(19-13)21-9-12(16(22)23)15(20-21)10-4-2-1-3-5-10/h1-9H,(H,22,23)(H2,18,24,25)
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2.30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037237
PNG
(CHEMBL3356265)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4O4S2/c18-10-3-1-9(2-4-10)15-12(16(23)24)8-22(21-15)17-20-13-6-5-11(28(19,25)26)7-14(13)27-17/h1-8H,(H,23,24)(H2,19,25,26)
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2.5n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037238
PNG
(CHEMBL3356264)
Show SMILES COc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O5S2/c1-27-11-4-2-10(3-5-11)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(29(19,25)26)8-15(14)28-18/h2-9H,1H3,(H,23,24)(H2,19,25,26)
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2.70n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037235
PNG
(CHEMBL3356266)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN4O4S2/c18-10-3-1-9(2-4-10)15-12(16(23)24)8-22(21-15)17-20-13-6-5-11(28(19,25)26)7-14(13)27-17/h1-8H,(H,23,24)(H2,19,25,26)
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2.80n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037244
PNG
(CHEMBL3356262)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H11N5O5S2/c18-29(26,27)13-5-6-14-15(7-13)28-17(19-14)21-8-11(9-23)16(20-21)10-1-3-12(4-2-10)22(24)25/h1-9H,(H2,18,26,27)
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3.80n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037235
PNG
(CHEMBL3356266)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN4O4S2/c18-10-3-1-9(2-4-10)15-12(16(23)24)8-22(21-15)17-20-13-6-5-11(28(19,25)26)7-14(13)27-17/h1-8H,(H,23,24)(H2,19,25,26)
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5.5n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
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 human carbonic anhydrase 12 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037231
PNG
(CHEMBL3356268)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N5O2S2/c18-9-12-10-22(21-16(12)11-4-2-1-3-5-11)17-20-14-7-6-13(26(19,23)24)8-15(14)25-17/h1-8,10H,(H2,19,23,24)
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6.60n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037230
PNG
(CHEMBL3356269)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C#N)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H13N5O2S2/c1-11-2-4-12(5-3-11)17-13(9-19)10-23(22-17)18-21-15-7-6-14(27(20,24)25)8-16(15)26-18/h2-8,10H,1H3,(H2,20,24,25)
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7.20n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037235
PNG
(CHEMBL3356266)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN4O4S2/c18-10-3-1-9(2-4-10)15-12(16(23)24)8-22(21-15)17-20-13-6-5-11(28(19,25)26)7-14(13)27-17/h1-8H,(H,23,24)(H2,19,25,26)
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7.30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037227
PNG
(CHEMBL3356271)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H10FN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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7.40n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037216
PNG
(CHEMBL3356277)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN5O3S2/c18-12-3-1-10(2-4-12)16-11(8-20-24)9-23(22-16)17-21-14-6-5-13(28(19,25)26)7-15(14)27-17/h1-9,24H,(H2,19,25,26)/b20-8+
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8.5n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037232
PNG
(CHEMBL3356267)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H11N5O6S2/c18-30(27,28)11-5-6-13-14(7-11)29-17(19-13)21-8-12(16(23)24)15(20-21)9-1-3-10(4-2-9)22(25)26/h1-8H,(H,23,24)(H2,18,27,28)
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9.30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037248
PNG
(CHEMBL3356260)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4O3S2/c18-12-3-1-10(2-4-12)16-11(9-23)8-22(21-16)17-20-14-6-5-13(27(19,24)25)7-15(14)26-17/h1-9H,(H2,19,24,25)
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10n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037252
PNG
(CHEMBL3356257)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O3S2/c18-26(23,24)13-6-7-14-15(8-13)25-17(19-14)21-9-12(10-22)16(20-21)11-4-2-1-3-5-11/h1-10H,(H2,18,23,24)
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11n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037214
PNG
(CHEMBL3356279)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N6O5S2/c18-30(27,28)13-5-6-14-15(7-13)29-17(20-14)22-9-11(8-19-24)16(21-22)10-1-3-12(4-2-10)23(25)26/h1-9,24H,(H2,18,27,28)/b19-8+
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12n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
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 human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037221
PNG
(CHEMBL3356275)
Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O3S2/c1-11-2-4-12(5-3-11)17-13(9-20-24)10-23(22-17)18-21-15-7-6-14(28(19,25)26)8-16(15)27-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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14n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037217
PNG
(CHEMBL3356276)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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16n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037229
PNG
(CHEMBL3356270)
Show SMILES COc1ccc(cc1)-c1nn(cc1C#N)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H13N5O3S2/c1-26-13-4-2-11(3-5-13)17-12(9-19)10-23(22-17)18-21-15-7-6-14(28(20,24)25)8-16(15)27-18/h2-8,10H,1H3,(H2,20,24,25)
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20n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
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 human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037227
PNG
(CHEMBL3356271)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H10FN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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27n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037225
PNG
(CHEMBL3356273)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H10N6O4S2/c18-8-11-9-22(21-16(11)10-1-3-12(4-2-10)23(24)25)17-20-14-6-5-13(29(19,26)27)7-15(14)28-17/h1-7,9H,(H2,19,26,27)
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30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037237
PNG
(CHEMBL3356265)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4O4S2/c18-10-3-1-9(2-4-10)15-12(16(23)24)8-22(21-15)17-20-13-6-5-11(28(19,25)26)7-14(13)27-17/h1-8H,(H,23,24)(H2,19,25,26)
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30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037251
PNG
(CHEMBL3356258)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O3S2/c1-11-2-4-12(5-3-11)17-13(10-23)9-22(21-17)18-20-15-7-6-14(27(19,24)25)8-16(15)26-18/h2-10H,1H3,(H2,19,24,25)
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32n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037223
PNG
(CHEMBL3356274)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O3S2/c18-27(24,25)13-6-7-14-15(8-13)26-17(20-14)22-10-12(9-19-23)16(21-22)11-4-2-1-3-5-11/h1-10,23H,(H2,18,24,25)/b19-9+
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35n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037243
PNG
(CHEMBL3356263)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O4S2/c18-27(24,25)11-6-7-13-14(8-11)26-17(19-13)21-9-12(16(22)23)15(20-21)10-4-2-1-3-5-10/h1-9H,(H,22,23)(H2,18,24,25)
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39n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037250
PNG
(CHEMBL3356259)
Show SMILES COc1ccc(cc1)-c1nn(cc1C=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O4S2/c1-26-13-4-2-11(3-5-13)17-12(10-23)9-22(21-17)18-20-15-7-6-14(28(19,24)25)8-16(15)27-18/h2-10H,1H3,(H2,19,24,25)
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40n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037246
PNG
(CHEMBL3356261)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN4O3S2/c18-12-3-1-10(2-4-12)16-11(9-23)8-22(21-16)17-20-14-6-5-13(27(19,24)25)7-15(14)26-17/h1-9H,(H2,19,24,25)
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40n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037230
PNG
(CHEMBL3356269)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C#N)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H13N5O2S2/c1-11-2-4-12(5-3-11)17-13(9-19)10-23(22-17)18-21-15-7-6-14(27(20,24)25)8-16(15)26-18/h2-8,10H,1H3,(H2,20,24,25)
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48n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037221
PNG
(CHEMBL3356275)
Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O3S2/c1-11-2-4-12(5-3-11)17-13(9-20-24)10-23(22-17)18-21-15-7-6-14(28(19,25)26)8-16(15)27-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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48n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037217
PNG
(CHEMBL3356276)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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50n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037239
PNG
(CHEMBL3352855)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O4S2/c1-10-2-4-11(5-3-10)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(28(19,25)26)8-15(14)27-18/h2-9H,1H3,(H,23,24)(H2,19,25,26)
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54n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037232
PNG
(CHEMBL3356267)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H11N5O6S2/c18-30(27,28)11-5-6-13-14(7-11)29-17(19-13)21-8-12(16(23)24)15(20-21)9-1-3-10(4-2-9)22(25)26/h1-8H,(H,23,24)(H2,18,27,28)
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60n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037237
PNG
(CHEMBL3356265)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4O4S2/c18-10-3-1-9(2-4-10)15-12(16(23)24)8-22(21-15)17-20-13-6-5-11(28(19,25)26)7-14(13)27-17/h1-8H,(H,23,24)(H2,19,25,26)
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62n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037223
PNG
(CHEMBL3356274)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O3S2/c18-27(24,25)13-6-7-14-15(8-13)26-17(20-14)22-10-12(9-19-23)16(21-22)11-4-2-1-3-5-11/h1-10,23H,(H2,18,24,25)/b19-9+
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64n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037238
PNG
(CHEMBL3356264)
Show SMILES COc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O5S2/c1-27-11-4-2-10(3-5-11)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(29(19,25)26)8-15(14)28-18/h2-9H,1H3,(H,23,24)(H2,19,25,26)
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65n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037244
PNG
(CHEMBL3356262)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H11N5O5S2/c18-29(26,27)13-5-6-14-15(7-13)28-17(19-14)21-8-11(9-23)16(20-21)10-1-3-12(4-2-10)22(24)25/h1-9H,(H2,18,26,27)
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75n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037231
PNG
(CHEMBL3356268)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N5O2S2/c18-9-12-10-22(21-16(12)11-4-2-1-3-5-11)17-20-14-7-6-13(26(19,23)24)8-15(14)25-17/h1-8,10H,(H2,19,23,24)
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82n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037216
PNG
(CHEMBL3356277)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN5O3S2/c18-12-3-1-10(2-4-12)16-11(8-20-24)9-23(22-16)17-21-14-6-5-13(28(19,25)26)7-15(14)27-17/h1-9,24H,(H2,19,25,26)/b20-8+
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84n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037215
PNG
(CHEMBL3356278)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN5O3S2/c18-12-3-1-10(2-4-12)16-11(8-20-24)9-23(22-16)17-21-14-6-5-13(28(19,25)26)7-15(14)27-17/h1-9,24H,(H2,19,25,26)/b20-8+
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85n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037217
PNG
(CHEMBL3356276)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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92n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037214
PNG
(CHEMBL3356279)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N6O5S2/c18-30(27,28)13-5-6-14-15(7-13)29-17(20-14)22-9-11(8-19-24)16(21-22)10-1-3-12(4-2-10)23(25)26/h1-9,24H,(H2,18,27,28)/b19-8+
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97n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037232
PNG
(CHEMBL3356267)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H11N5O6S2/c18-30(27,28)11-5-6-13-14(7-11)29-17(19-13)21-8-12(16(23)24)15(20-21)9-1-3-10(4-2-9)22(25)26/h1-8H,(H,23,24)(H2,18,27,28)
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97n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037215
PNG
(CHEMBL3356278)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN5O3S2/c18-12-3-1-10(2-4-12)16-11(8-20-24)9-23(22-16)17-21-14-6-5-13(28(19,25)26)7-15(14)27-17/h1-9,24H,(H2,19,25,26)/b20-8+
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107n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037239
PNG
(CHEMBL3352855)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O4S2/c1-10-2-4-11(5-3-10)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(28(19,25)26)8-15(14)27-18/h2-9H,1H3,(H,23,24)(H2,19,25,26)
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109n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037229
PNG
(CHEMBL3356270)
Show SMILES COc1ccc(cc1)-c1nn(cc1C#N)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H13N5O3S2/c1-26-13-4-2-11(3-5-13)17-12(9-19)10-23(22-17)18-21-15-7-6-14(28(20,24)25)8-16(15)27-18/h2-8,10H,1H3,(H2,20,24,25)
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111n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037223
PNG
(CHEMBL3356274)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O3S2/c18-27(24,25)13-6-7-14-15(8-13)26-17(20-14)22-10-12(9-19-23)16(21-22)11-4-2-1-3-5-11/h1-10,23H,(H2,18,24,25)/b19-9+
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114n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037214
PNG
(CHEMBL3356279)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N6O5S2/c18-30(27,28)13-5-6-14-15(7-13)29-17(20-14)22-9-11(8-19-24)16(21-22)10-1-3-12(4-2-10)23(25)26/h1-9,24H,(H2,18,27,28)/b19-8+
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119n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037221
PNG
(CHEMBL3356275)
Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O3S2/c1-11-2-4-12(5-3-11)17-13(9-20-24)10-23(22-17)18-21-15-7-6-14(28(19,25)26)8-16(15)27-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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134n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037231
PNG
(CHEMBL3356268)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N5O2S2/c18-9-12-10-22(21-16(12)11-4-2-1-3-5-11)17-20-14-7-6-13(26(19,23)24)8-15(14)25-17/h1-8,10H,(H2,19,23,24)
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139n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037246
PNG
(CHEMBL3356261)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN4O3S2/c18-12-3-1-10(2-4-12)16-11(9-23)8-22(21-16)17-20-14-6-5-13(27(19,24)25)7-15(14)26-17/h1-9H,(H2,19,24,25)
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142n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037215
PNG
(CHEMBL3356278)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN5O3S2/c18-12-3-1-10(2-4-12)16-11(8-20-24)9-23(22-16)17-21-14-6-5-13(28(19,25)26)7-15(14)27-17/h1-9,24H,(H2,19,25,26)/b20-8+
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152n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037243
PNG
(CHEMBL3356263)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O4S2/c18-27(24,25)11-6-7-13-14(8-11)26-17(19-13)21-9-12(16(22)23)15(20-21)10-4-2-1-3-5-10/h1-9H,(H,22,23)(H2,18,24,25)
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157n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037250
PNG
(CHEMBL3356259)
Show SMILES COc1ccc(cc1)-c1nn(cc1C=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O4S2/c1-26-13-4-2-11(3-5-13)17-12(10-23)9-22(21-17)18-20-15-7-6-14(28(19,24)25)8-16(15)27-18/h2-10H,1H3,(H2,19,24,25)
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172n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037230
PNG
(CHEMBL3356269)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C#N)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H13N5O2S2/c1-11-2-4-12(5-3-11)17-13(9-19)10-23(22-17)18-21-15-7-6-14(27(20,24)25)8-16(15)26-18/h2-8,10H,1H3,(H2,20,24,25)
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186n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037252
PNG
(CHEMBL3356257)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O3S2/c18-26(23,24)13-6-7-14-15(8-13)25-17(19-14)21-9-12(10-22)16(20-21)11-4-2-1-3-5-11/h1-10H,(H2,18,23,24)
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214n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037216
PNG
(CHEMBL3356277)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN5O3S2/c18-12-3-1-10(2-4-12)16-11(8-20-24)9-23(22-16)17-21-14-6-5-13(28(19,25)26)7-15(14)27-17/h1-9,24H,(H2,19,25,26)/b20-8+
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224n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037226
PNG
(CHEMBL3356272)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H10ClN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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224n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037250
PNG
(CHEMBL3356259)
Show SMILES COc1ccc(cc1)-c1nn(cc1C=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O4S2/c1-26-13-4-2-11(3-5-13)17-12(10-23)9-22(21-17)18-20-15-7-6-14(28(19,24)25)8-16(15)27-18/h2-10H,1H3,(H2,19,24,25)
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229n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
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 human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037251
PNG
(CHEMBL3356258)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O3S2/c1-11-2-4-12(5-3-11)17-13(10-23)9-22(21-17)18-20-15-7-6-14(27(19,24)25)8-16(15)26-18/h2-10H,1H3,(H2,19,24,25)
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264n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037239
PNG
(CHEMBL3352855)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O4S2/c1-10-2-4-11(5-3-10)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(28(19,25)26)8-15(14)27-18/h2-9H,1H3,(H,23,24)(H2,19,25,26)
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268n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037226
PNG
(CHEMBL3356272)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H10ClN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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284n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037237
PNG
(CHEMBL3356265)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4O4S2/c18-10-3-1-9(2-4-10)15-12(16(23)24)8-22(21-15)17-20-13-6-5-11(28(19,25)26)7-14(13)27-17/h1-8H,(H,23,24)(H2,19,25,26)
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313n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037232
PNG
(CHEMBL3356267)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H11N5O6S2/c18-30(27,28)11-5-6-13-14(7-11)29-17(19-13)21-8-12(16(23)24)15(20-21)9-1-3-10(4-2-9)22(25)26/h1-8H,(H,23,24)(H2,18,27,28)
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381n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037235
PNG
(CHEMBL3356266)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN4O4S2/c18-10-3-1-9(2-4-10)15-12(16(23)24)8-22(21-15)17-20-13-6-5-11(28(19,25)26)7-14(13)27-17/h1-8H,(H,23,24)(H2,19,25,26)
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407n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037238
PNG
(CHEMBL3356264)
Show SMILES COc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O5S2/c1-27-11-4-2-10(3-5-11)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(29(19,25)26)8-15(14)28-18/h2-9H,1H3,(H,23,24)(H2,19,25,26)
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690n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037251
PNG
(CHEMBL3356258)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O3S2/c1-11-2-4-12(5-3-11)17-13(10-23)9-22(21-17)18-20-15-7-6-14(27(19,24)25)8-16(15)26-18/h2-10H,1H3,(H2,19,24,25)
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699n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037227
PNG
(CHEMBL3356271)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H10FN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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739n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037243
PNG
(CHEMBL3356263)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O4S2/c18-27(24,25)11-6-7-13-14(8-11)26-17(19-13)21-9-12(16(22)23)15(20-21)10-4-2-1-3-5-10/h1-9H,(H,22,23)(H2,18,24,25)
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752n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037238
PNG
(CHEMBL3356264)
Show SMILES COc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O5S2/c1-27-11-4-2-10(3-5-11)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(29(19,25)26)8-15(14)28-18/h2-9H,1H3,(H,23,24)(H2,19,25,26)
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842n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037225
PNG
(CHEMBL3356273)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H10N6O4S2/c18-8-11-9-22(21-16(11)10-1-3-12(4-2-10)23(24)25)17-20-14-6-5-13(29(19,26)27)7-15(14)28-17/h1-7,9H,(H2,19,26,27)
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854n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037248
PNG
(CHEMBL3356260)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4O3S2/c18-12-3-1-10(2-4-12)16-11(9-23)8-22(21-16)17-20-14-6-5-13(27(19,24)25)7-15(14)26-17/h1-9H,(H2,19,24,25)
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1.02E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037225
PNG
(CHEMBL3356273)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H10N6O4S2/c18-8-11-9-22(21-16(11)10-1-3-12(4-2-10)23(24)25)17-20-14-6-5-13(29(19,26)27)7-15(14)28-17/h1-7,9H,(H2,19,26,27)
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1.39E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037246
PNG
(CHEMBL3356261)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN4O3S2/c18-12-3-1-10(2-4-12)16-11(9-23)8-22(21-16)17-20-14-6-5-13(27(19,24)25)7-15(14)26-17/h1-9H,(H2,19,24,25)
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1.69E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037252
PNG
(CHEMBL3356257)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O3S2/c18-26(23,24)13-6-7-14-15(8-13)25-17(19-14)21-9-12(10-22)16(20-21)11-4-2-1-3-5-11/h1-10H,(H2,18,23,24)
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1.75E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50037244
PNG
(CHEMBL3356262)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H11N5O5S2/c18-29(26,27)13-5-6-14-15(7-13)28-17(19-14)21-8-11(9-23)16(20-21)10-1-3-12(4-2-10)22(24)25/h1-9H,(H2,18,26,27)
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2.11E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037244
PNG
(CHEMBL3356262)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H11N5O5S2/c18-29(26,27)13-5-6-14-15(7-13)28-17(19-14)21-8-11(9-23)16(20-21)10-1-3-12(4-2-10)22(24)25/h1-9H,(H2,18,26,27)
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2.33E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037246
PNG
(CHEMBL3356261)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H11ClN4O3S2/c18-12-3-1-10(2-4-12)16-11(9-23)8-22(21-16)17-20-14-6-5-13(27(19,24)25)7-15(14)26-17/h1-9H,(H2,19,24,25)
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2.63E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037229
PNG
(CHEMBL3356270)
Show SMILES COc1ccc(cc1)-c1nn(cc1C#N)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H13N5O3S2/c1-26-13-4-2-11(3-5-13)17-12(9-19)10-23(22-17)18-21-15-7-6-14(28(20,24)25)8-16(15)27-18/h2-8,10H,1H3,(H2,20,24,25)
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4.74E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50037226
PNG
(CHEMBL3356272)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H10ClN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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4.82E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037216
PNG
(CHEMBL3356277)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN5O3S2/c18-12-3-1-10(2-4-12)16-11(8-20-24)9-23(22-16)17-21-14-6-5-13(28(19,25)26)7-15(14)27-17/h1-9,24H,(H2,19,25,26)/b20-8+
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7.16E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037251
PNG
(CHEMBL3356258)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O3S2/c1-11-2-4-12(5-3-11)17-13(10-23)9-22(21-17)18-20-15-7-6-14(27(19,24)25)8-16(15)26-18/h2-10H,1H3,(H2,19,24,25)
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7.41E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037252
PNG
(CHEMBL3356257)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4O3S2/c18-26(23,24)13-6-7-14-15(8-13)25-17(19-14)21-9-12(10-22)16(20-21)11-4-2-1-3-5-11/h1-10H,(H2,18,23,24)
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8.81E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037231
PNG
(CHEMBL3356268)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N5O2S2/c18-9-12-10-22(21-16(12)11-4-2-1-3-5-11)17-20-14-7-6-13(26(19,23)24)8-15(14)25-17/h1-8,10H,(H2,19,23,24)
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9.82E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50037248
PNG
(CHEMBL3356260)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4O3S2/c18-12-3-1-10(2-4-12)16-11(9-23)8-22(21-16)17-20-14-6-5-13(27(19,24)25)7-15(14)26-17/h1-9H,(H2,19,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


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


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037250
PNG
(CHEMBL3356259)
Show SMILES COc1ccc(cc1)-c1nn(cc1C=O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H14N4O4S2/c1-26-13-4-2-11(3-5-13)17-12(10-23)9-22(21-17)18-20-15-7-6-14(28(19,24)25)8-16(15)27-18/h2-10H,1H3,(H2,19,24,25)
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1.03E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037227
PNG
(CHEMBL3356271)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H10FN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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1.21E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037248
PNG
(CHEMBL3356260)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN4O3S2/c18-12-3-1-10(2-4-12)16-11(9-23)8-22(21-16)17-20-14-6-5-13(27(19,24)25)7-15(14)26-17/h1-9H,(H2,19,24,25)
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1.57E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037214
PNG
(CHEMBL3356279)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H12N6O5S2/c18-30(27,28)13-5-6-14-15(7-13)29-17(20-14)22-9-11(8-19-24)16(21-22)10-1-3-12(4-2-10)23(25)26/h1-9,24H,(H2,18,27,28)/b19-8+
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2.31E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037215
PNG
(CHEMBL3356278)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN5O3S2/c18-12-3-1-10(2-4-12)16-11(8-20-24)9-23(22-16)17-21-14-6-5-13(28(19,25)26)7-15(14)27-17/h1-9,24H,(H2,19,25,26)/b20-8+
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2.68E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037223
PNG
(CHEMBL3356274)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H13N5O3S2/c18-27(24,25)13-6-7-14-15(8-13)26-17(20-14)22-10-12(9-19-23)16(21-22)11-4-2-1-3-5-11/h1-10,23H,(H2,18,24,25)/b19-9+
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2.87E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037221
PNG
(CHEMBL3356275)
Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O3S2/c1-11-2-4-12(5-3-11)17-13(9-20-24)10-23(22-17)18-21-15-7-6-14(28(19,25)26)8-16(15)27-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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2.91E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037217
PNG
(CHEMBL3356276)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N\O)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15N5O4S2/c1-27-13-4-2-11(3-5-13)17-12(9-20-24)10-23(22-17)18-21-15-7-6-14(29(19,25)26)8-16(15)28-18/h2-10,24H,1H3,(H2,19,25,26)/b20-9+
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>5.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037226
PNG
(CHEMBL3356272)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H10ClN5O2S2/c18-12-3-1-10(2-4-12)16-11(8-19)9-23(22-16)17-21-14-6-5-13(27(20,24)25)7-15(14)26-17/h1-7,9H,(H2,20,24,25)
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>5.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037229
PNG
(CHEMBL3356270)
Show SMILES COc1ccc(cc1)-c1nn(cc1C#N)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H13N5O3S2/c1-26-13-4-2-11(3-5-13)17-12(9-19)10-23(22-17)18-21-15-7-6-14(28(20,24)25)8-16(15)27-18/h2-8,10H,1H3,(H2,20,24,25)
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>5.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037225
PNG
(CHEMBL3356273)
Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C#N)c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H10N6O4S2/c18-8-11-9-22(21-16(11)10-1-3-12(4-2-10)23(24)25)17-20-14-6-5-13(29(19,26)27)7-15(14)28-17/h1-7,9H,(H2,19,26,27)
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>5.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50037230
PNG
(CHEMBL3356269)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C#N)-c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H13N5O2S2/c1-11-2-4-12(5-3-11)17-13(9-19)10-23(22-17)18-21-15-7-6-14(27(20,24)25)8-16(15)26-18/h2-8,10H,1H3,(H2,20,24,25)
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>5.00E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method


Bioorg Med Chem 22: 6945-52 (2014)


Article DOI: 10.1016/j.bmc.2014.10.018
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%