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PubMed code 26048024

Compile data set for download or QSAR
Found 84 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 9


(Homo sapiens (human))
BDBM50098353
PNG
(CHEMBL3594419)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1
Show InChI InChI=1S/C18H18N8O4S6/c19-35(27,28)9-1-3-11-13(7-9)33-17(23-11)25-15(31)21-5-6-22-16(32)26-18-24-12-4-2-10(36(20,29)30)8-14(12)34-18/h1-4,7-8H,5-6H2,(H2,19,27,28)(H2,20,29,30)(H2,21,23,25,31)(H2,22,24,26,32)
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2.10n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098350
PNG
(CHEMBL3594422)
Show SMILES CS\C(=N/c1nc2ccc(cc2s1)S(N)(=O)=O)N1CCN(CC1)C(\SC)=N\c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C8H6Br2N2S/c9-6-3-13-7(8(6)10)1-5-2-11-4-12-5/h2-4H,1H2,(H,11,12)
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2.30n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098351
PNG
(CHEMBL3594421)
Show SMILES CS\C(NCCN\C(SC)=N\c1nc2ccc(cc2s1)S(N)(=O)=O)=N/c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8N2S/c1-2-8(11-3-1)4-7-5-9-6-10-7/h1-3,5-6H,4H2,(H,9,10)
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2.5n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098352
PNG
(CHEMBL3594420)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(CC3)C(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1
Show InChI InChI=1S/C9H10N2S/c1-7-2-3-12-9(7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)
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2.60n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098359
PNG
(CHEMBL3594414)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C8H7BrN2S/c9-8-4-12-3-6(8)1-7-2-10-5-11-7/h2-5H,1H2,(H,10,11)
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2.70n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098356
PNG
(CHEMBL3594417)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1
Show InChI InChI=1S/C20H16N8O3S3/c21-9-12-10-23-28(18(12)27-19(32)24-13-4-2-1-3-5-13)11-17(29)26-20-25-15-7-6-14(34(22,30)31)8-16(15)33-20/h1-8,10H,11H2,(H2,22,30,31)(H2,24,27,32)(H,25,26,29)
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2.80n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098360
PNG
(CHEMBL3594413)
Show SMILES Nc1ncnc2n(CC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)ncc12
Show InChI InChI=1S/C14H12N8O3S2/c15-12-8-4-19-22(13(8)18-6-17-12)5-11(23)21-14-20-9-2-1-7(27(16,24)25)3-10(9)26-14/h1-4,6H,5H2,(H2,15,17,18)(H2,16,24,25)(H,20,21,23)
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2.80n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098353
PNG
(CHEMBL3594419)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1
Show InChI InChI=1S/C18H18N8O4S6/c19-35(27,28)9-1-3-11-13(7-9)33-17(23-11)25-15(31)21-5-6-22-16(32)26-18-24-12-4-2-10(36(20,29)30)8-14(12)34-18/h1-4,7-8H,5-6H2,(H2,19,27,28)(H2,20,29,30)(H2,21,23,25,31)(H2,22,24,26,32)
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3.5n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098351
PNG
(CHEMBL3594421)
Show SMILES CS\C(NCCN\C(SC)=N\c1nc2ccc(cc2s1)S(N)(=O)=O)=N/c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8N2S/c1-2-8(11-3-1)4-7-5-9-6-10-7/h1-3,5-6H,4H2,(H,9,10)
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3.5n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098352
PNG
(CHEMBL3594420)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(CC3)C(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1
Show InChI InChI=1S/C9H10N2S/c1-7-2-3-12-9(7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)
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3.70n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098354
PNG
(CHEMBL3594418)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(NC(=S)Nc2ccccc2)c1C#N
Show InChI InChI=1S/C21H18N8O3S4/c1-34-19-14(10-22)18(27-20(33)24-12-5-3-2-4-6-12)29(28-19)11-17(30)26-21-25-15-8-7-13(36(23,31)32)9-16(15)35-21/h2-9H,11H2,1H3,(H2,23,31,32)(H2,24,27,33)(H,25,26,30)
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3.90n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098356
PNG
(CHEMBL3594417)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1
Show InChI InChI=1S/C20H16N8O3S3/c21-9-12-10-23-28(18(12)27-19(32)24-13-4-2-1-3-5-13)11-17(29)26-20-25-15-7-6-14(34(22,30)31)8-16(15)33-20/h1-8,10H,11H2,(H2,22,30,31)(H2,24,27,32)(H,25,26,29)
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4.10n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098358
PNG
(CHEMBL3594415)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc4c3nc[nH]c4=O)sc2c1
Show InChI InChI=1S/C11H12N2S/c1-8-2-5-14-10(8)11(3-4-11)9-6-12-7-13-9/h2,5-7H,3-4H2,1H3,(H,12,13)
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4.10n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098352
PNG
(CHEMBL3594420)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(CC3)C(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1
Show InChI InChI=1S/C9H10N2S/c1-7-2-3-12-9(7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)
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4.30n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098357
PNG
(CHEMBL3594416)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c2nc[nH]c(=O)c12
Show InChI InChI=1S/C9H10N2S/c1-7-2-3-9(12-7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)
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4.30n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098350
PNG
(CHEMBL3594422)
Show SMILES CS\C(=N/c1nc2ccc(cc2s1)S(N)(=O)=O)N1CCN(CC1)C(\SC)=N\c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C8H6Br2N2S/c9-6-3-13-7(8(6)10)1-5-2-11-4-12-5/h2-4H,1H2,(H,11,12)
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4.70n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098354
PNG
(CHEMBL3594418)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(NC(=S)Nc2ccccc2)c1C#N
Show InChI InChI=1S/C21H18N8O3S4/c1-34-19-14(10-22)18(27-20(33)24-12-5-3-2-4-6-12)29(28-19)11-17(30)26-21-25-15-8-7-13(36(23,31)32)9-16(15)35-21/h2-9H,11H2,1H3,(H2,23,31,32)(H2,24,27,33)(H,25,26,30)
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4.70n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098360
PNG
(CHEMBL3594413)
Show SMILES Nc1ncnc2n(CC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)ncc12
Show InChI InChI=1S/C14H12N8O3S2/c15-12-8-4-19-22(13(8)18-6-17-12)5-11(23)21-14-20-9-2-1-7(27(16,24)25)3-10(9)26-14/h1-4,6H,5H2,(H2,15,17,18)(H2,16,24,25)(H,20,21,23)
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4.70n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098350
PNG
(CHEMBL3594422)
Show SMILES CS\C(=N/c1nc2ccc(cc2s1)S(N)(=O)=O)N1CCN(CC1)C(\SC)=N\c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C8H6Br2N2S/c9-6-3-13-7(8(6)10)1-5-2-11-4-12-5/h2-4H,1H2,(H,11,12)
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4.80n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098353
PNG
(CHEMBL3594419)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1
Show InChI InChI=1S/C18H18N8O4S6/c19-35(27,28)9-1-3-11-13(7-9)33-17(23-11)25-15(31)21-5-6-22-16(32)26-18-24-12-4-2-10(36(20,29)30)8-14(12)34-18/h1-4,7-8H,5-6H2,(H2,19,27,28)(H2,20,29,30)(H2,21,23,25,31)(H2,22,24,26,32)
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4.80n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098363
PNG
(CHEMBL3594410)
Show SMILES NS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N5O5S3/c16-27(22,23)10-3-1-9(2-4-10)18-8-14(21)20-15-19-12-6-5-11(28(17,24)25)7-13(12)26-15/h1-7,18H,8H2,(H2,16,22,23)(H2,17,24,25)(H,19,20,21)
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4.80n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098351
PNG
(CHEMBL3594421)
Show SMILES CS\C(NCCN\C(SC)=N\c1nc2ccc(cc2s1)S(N)(=O)=O)=N/c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8N2S/c1-2-8(11-3-1)4-7-5-9-6-10-7/h1-3,5-6H,4H2,(H,9,10)
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4.80n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098356
PNG
(CHEMBL3594417)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1
Show InChI InChI=1S/C20H16N8O3S3/c21-9-12-10-23-28(18(12)27-19(32)24-13-4-2-1-3-5-13)11-17(29)26-20-25-15-7-6-14(34(22,30)31)8-16(15)33-20/h1-8,10H,11H2,(H2,22,30,31)(H2,24,27,32)(H,25,26,29)
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5.20n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098357
PNG
(CHEMBL3594416)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c2nc[nH]c(=O)c12
Show InChI InChI=1S/C9H10N2S/c1-7-2-3-9(12-7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)
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5.5n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098354
PNG
(CHEMBL3594418)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(NC(=S)Nc2ccccc2)c1C#N
Show InChI InChI=1S/C21H18N8O3S4/c1-34-19-14(10-22)18(27-20(33)24-12-5-3-2-4-6-12)29(28-19)11-17(30)26-21-25-15-8-7-13(36(23,31)32)9-16(15)35-21/h2-9H,11H2,1H3,(H2,23,31,32)(H2,24,27,33)(H,25,26,30)
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5.60n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098360
PNG
(CHEMBL3594413)
Show SMILES Nc1ncnc2n(CC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)ncc12
Show InChI InChI=1S/C14H12N8O3S2/c15-12-8-4-19-22(13(8)18-6-17-12)5-11(23)21-14-20-9-2-1-7(27(16,24)25)3-10(9)26-14/h1-4,6H,5H2,(H2,15,17,18)(H2,16,24,25)(H,20,21,23)
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5.70n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098369
PNG
(CHEMBL3594407)
Show SMILES Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N7O3S3/c19-25-15(8-11-4-2-1-3-5-11)23-24-18(25)29-10-16(26)22-17-21-13-7-6-12(31(20,27)28)9-14(13)30-17/h1-7,9H,8,10,19H2,(H2,20,27,28)(H,21,22,26)
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5.80n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
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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5.80n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098361
PNG
(CHEMBL3594412)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(N)c1C#N
Show InChI InChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16)
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6.30n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098359
PNG
(CHEMBL3594414)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C8H7BrN2S/c9-8-4-12-3-6(8)1-7-2-10-5-11-7/h2-5H,1H2,(H,10,11)
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6.60n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098358
PNG
(CHEMBL3594415)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc4c3nc[nH]c4=O)sc2c1
Show InChI InChI=1S/C11H12N2S/c1-8-2-5-14-10(8)11(3-4-11)9-6-12-7-13-9/h2,5-7H,3-4H2,1H3,(H,12,13)
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6.70n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098363
PNG
(CHEMBL3594410)
Show SMILES NS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N5O5S3/c16-27(22,23)10-3-1-9(2-4-10)18-8-14(21)20-15-19-12-6-5-11(28(17,24)25)7-13(12)26-15/h1-7,18H,8H2,(H2,16,22,23)(H2,17,24,25)(H,19,20,21)
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7.30n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098357
PNG
(CHEMBL3594416)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c2nc[nH]c(=O)c12
Show InChI InChI=1S/C9H10N2S/c1-7-2-3-9(12-7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)
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7.40n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098358
PNG
(CHEMBL3594415)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc4c3nc[nH]c4=O)sc2c1
Show InChI InChI=1S/C11H12N2S/c1-8-2-5-14-10(8)11(3-4-11)9-6-12-7-13-9/h2,5-7H,3-4H2,1H3,(H,12,13)
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7.5n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098364
PNG
(CHEMBL3594409)
Show SMILES Nn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15Cl2N7O4S3/c19-9-1-4-13(11(20)5-9)31-7-15-25-26-18(27(15)21)32-8-16(28)24-17-23-12-3-2-10(34(22,29)30)6-14(12)33-17/h1-6H,7-8,21H2,(H2,22,29,30)(H,23,24,28)
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7.70n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098368
PNG
(CHEMBL3594404)
Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)n1
Show InChI InChI=1S/C13H12N6O4S3/c14-9-4-10(20)18-12(17-9)24-5-11(21)19-13-16-7-2-1-6(26(15,22)23)3-8(7)25-13/h1-4H,5H2,(H2,15,22,23)(H,16,19,21)(H3,14,17,18,20)
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8.10n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098365
PNG
(CHEMBL3594408)
Show SMILES Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)n2N)cc1Cl
Show InChI InChI=1S/C19H18ClN7O4S3/c1-10-2-3-11(6-13(10)20)31-8-16-25-26-19(27(16)21)32-9-17(28)24-18-23-14-5-4-12(34(22,29)30)7-15(14)33-18/h2-7H,8-9,21H2,1H3,(H2,22,29,30)(H,23,24,28)
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8.20n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098358
PNG
(CHEMBL3594415)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc4c3nc[nH]c4=O)sc2c1
Show InChI InChI=1S/C11H12N2S/c1-8-2-5-14-10(8)11(3-4-11)9-6-12-7-13-9/h2,5-7H,3-4H2,1H3,(H,12,13)
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8.30n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098367
PNG
(CHEMBL3594405)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)CSc3nc(O)cc(=O)[nH]3)sc2c1
Show InChI InChI=1S/C13H11N5O5S3/c14-26(22,23)6-1-2-7-8(3-6)25-13(15-7)18-11(21)5-24-12-16-9(19)4-10(20)17-12/h1-4H,5H2,(H2,14,22,23)(H,15,18,21)(H2,16,17,19,20)
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8.30n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098359
PNG
(CHEMBL3594414)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C8H7BrN2S/c9-8-4-12-3-6(8)1-7-2-10-5-11-7/h2-5H,1H2,(H,10,11)
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8.60n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098361
PNG
(CHEMBL3594412)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(N)c1C#N
Show InChI InChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16)
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8.60n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098363
PNG
(CHEMBL3594410)
Show SMILES NS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N5O5S3/c16-27(22,23)10-3-1-9(2-4-10)18-8-14(21)20-15-19-12-6-5-11(28(17,24)25)7-13(12)26-15/h1-7,18H,8H2,(H2,16,22,23)(H2,17,24,25)(H,19,20,21)
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8.80n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098362
PNG
(CHEMBL3594411)
Show SMILES Nc1c(cnn1CC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O)C#N
Show InChI InChI=1S/C13H11N7O3S2/c14-4-7-5-17-20(12(7)15)6-11(21)19-13-18-9-2-1-8(25(16,22)23)3-10(9)24-13/h1-3,5H,6,15H2,(H2,16,22,23)(H,18,19,21)
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8.90n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098364
PNG
(CHEMBL3594409)
Show SMILES Nn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15Cl2N7O4S3/c19-9-1-4-13(11(20)5-9)31-7-15-25-26-18(27(15)21)32-8-16(28)24-17-23-12-3-2-10(34(22,29)30)6-14(12)33-17/h1-6H,7-8,21H2,(H2,22,29,30)(H,23,24,28)
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9n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098367
PNG
(CHEMBL3594405)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)CSc3nc(O)cc(=O)[nH]3)sc2c1
Show InChI InChI=1S/C13H11N5O5S3/c14-26(22,23)6-1-2-7-8(3-6)25-13(15-7)18-11(21)5-24-12-16-9(19)4-10(20)17-12/h1-4H,5H2,(H2,14,22,23)(H,15,18,21)(H2,16,17,19,20)
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9n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098369
PNG
(CHEMBL3594407)
Show SMILES Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N7O3S3/c19-25-15(8-11-4-2-1-3-5-11)23-24-18(25)29-10-16(26)22-17-21-13-7-6-12(31(20,27)28)9-14(13)30-17/h1-7,9H,8,10,19H2,(H2,20,27,28)(H,21,22,26)
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9.20n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098365
PNG
(CHEMBL3594408)
Show SMILES Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)n2N)cc1Cl
Show InChI InChI=1S/C19H18ClN7O4S3/c1-10-2-3-11(6-13(10)20)31-8-16-25-26-19(27(16)21)32-9-17(28)24-18-23-14-5-4-12(34(22,29)30)7-15(14)33-18/h2-7H,8-9,21H2,1H3,(H2,22,29,30)(H,23,24,28)
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9.30n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098362
PNG
(CHEMBL3594411)
Show SMILES Nc1c(cnn1CC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O)C#N
Show InChI InChI=1S/C13H11N7O3S2/c14-4-7-5-17-20(12(7)15)6-11(21)19-13-18-9-2-1-8(25(16,22)23)3-10(9)24-13/h1-3,5H,6,15H2,(H2,16,22,23)(H,18,19,21)
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9.40n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50098366
PNG
(CHEMBL3594406)
Show SMILES Nc1nc(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)nc2[nH]ncc12
Show InChI InChI=1S/C14H12N8O3S3/c15-11-7-4-17-22-12(7)21-13(20-11)26-5-10(23)19-14-18-8-2-1-6(28(16,24)25)3-9(8)27-14/h1-4H,5H2,(H2,16,24,25)(H,18,19,23)(H3,15,17,20,21,22)
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9.5n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098368
PNG
(CHEMBL3594404)
Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)n1
Show InChI InChI=1S/C13H12N6O4S3/c14-9-4-10(20)18-12(17-9)24-5-11(21)19-13-16-7-2-1-6(26(15,22)23)3-8(7)25-13/h1-4H,5H2,(H2,15,22,23)(H,16,19,21)(H3,14,17,18,20)
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9.60n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098352
PNG
(CHEMBL3594420)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(CC3)C(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1
Show InChI InChI=1S/C9H10N2S/c1-7-2-3-12-9(7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)
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12n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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22n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098367
PNG
(CHEMBL3594405)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)CSc3nc(O)cc(=O)[nH]3)sc2c1
Show InChI InChI=1S/C13H11N5O5S3/c14-26(22,23)6-1-2-7-8(3-6)25-13(15-7)18-11(21)5-24-12-16-9(19)4-10(20)17-12/h1-4H,5H2,(H2,14,22,23)(H,15,18,21)(H2,16,17,19,20)
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26n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098351
PNG
(CHEMBL3594421)
Show SMILES CS\C(NCCN\C(SC)=N\c1nc2ccc(cc2s1)S(N)(=O)=O)=N/c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8N2S/c1-2-8(11-3-1)4-7-5-9-6-10-7/h1-3,5-6H,4H2,(H,9,10)
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26n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098362
PNG
(CHEMBL3594411)
Show SMILES Nc1c(cnn1CC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O)C#N
Show InChI InChI=1S/C13H11N7O3S2/c14-4-7-5-17-20(12(7)15)6-11(21)19-13-18-9-2-1-8(25(16,22)23)3-10(9)24-13/h1-3,5H,6,15H2,(H2,16,22,23)(H,18,19,21)
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27n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098361
PNG
(CHEMBL3594412)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(N)c1C#N
Show InChI InChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16)
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27n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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34n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098353
PNG
(CHEMBL3594419)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1
Show InChI InChI=1S/C18H18N8O4S6/c19-35(27,28)9-1-3-11-13(7-9)33-17(23-11)25-15(31)21-5-6-22-16(32)26-18-24-12-4-2-10(36(20,29)30)8-14(12)34-18/h1-4,7-8H,5-6H2,(H2,19,27,28)(H2,20,29,30)(H2,21,23,25,31)(H2,22,24,26,32)
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36n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098350
PNG
(CHEMBL3594422)
Show SMILES CS\C(=N/c1nc2ccc(cc2s1)S(N)(=O)=O)N1CCN(CC1)C(\SC)=N\c1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C8H6Br2N2S/c9-6-3-13-7(8(6)10)1-5-2-11-4-12-5/h2-4H,1H2,(H,11,12)
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37n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098357
PNG
(CHEMBL3594416)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c2nc[nH]c(=O)c12
Show InChI InChI=1S/C9H10N2S/c1-7-2-3-9(12-7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)
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41n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098363
PNG
(CHEMBL3594410)
Show SMILES NS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N5O5S3/c16-27(22,23)10-3-1-9(2-4-10)18-8-14(21)20-15-19-12-6-5-11(28(17,24)25)7-13(12)26-15/h1-7,18H,8H2,(H2,16,22,23)(H2,17,24,25)(H,19,20,21)
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45n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098360
PNG
(CHEMBL3594413)
Show SMILES Nc1ncnc2n(CC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)ncc12
Show InChI InChI=1S/C14H12N8O3S2/c15-12-8-4-19-22(13(8)18-6-17-12)5-11(23)21-14-20-9-2-1-7(27(16,24)25)3-10(9)26-14/h1-4,6H,5H2,(H2,15,17,18)(H2,16,24,25)(H,20,21,23)
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49n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098359
PNG
(CHEMBL3594414)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C8H7BrN2S/c9-8-4-12-3-6(8)1-7-2-10-5-11-7/h2-5H,1H2,(H,10,11)
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54n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098365
PNG
(CHEMBL3594408)
Show SMILES Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)n2N)cc1Cl
Show InChI InChI=1S/C19H18ClN7O4S3/c1-10-2-3-11(6-13(10)20)31-8-16-25-26-19(27(16)21)32-9-17(28)24-18-23-14-5-4-12(34(22,29)30)7-15(14)33-18/h2-7H,8-9,21H2,1H3,(H2,22,29,30)(H,23,24,28)
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67n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098356
PNG
(CHEMBL3594417)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1
Show InChI InChI=1S/C20H16N8O3S3/c21-9-12-10-23-28(18(12)27-19(32)24-13-4-2-1-3-5-13)11-17(29)26-20-25-15-7-6-14(34(22,30)31)8-16(15)33-20/h1-8,10H,11H2,(H2,22,30,31)(H2,24,27,32)(H,25,26,29)
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77n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098368
PNG
(CHEMBL3594404)
Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)n1
Show InChI InChI=1S/C13H12N6O4S3/c14-9-4-10(20)18-12(17-9)24-5-11(21)19-13-16-7-2-1-6(26(15,22)23)3-8(7)25-13/h1-4H,5H2,(H2,15,22,23)(H,16,19,21)(H3,14,17,18,20)
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128n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098364
PNG
(CHEMBL3594409)
Show SMILES Nn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15Cl2N7O4S3/c19-9-1-4-13(11(20)5-9)31-7-15-25-26-18(27(15)21)32-8-16(28)24-17-23-12-3-2-10(34(22,29)30)6-14(12)33-17/h1-6H,7-8,21H2,(H2,22,29,30)(H,23,24,28)
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135n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098369
PNG
(CHEMBL3594407)
Show SMILES Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N7O3S3/c19-25-15(8-11-4-2-1-3-5-11)23-24-18(25)29-10-16(26)22-17-21-13-7-6-12(31(20,27)28)9-14(13)30-17/h1-7,9H,8,10,19H2,(H2,20,27,28)(H,21,22,26)
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159n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098354
PNG
(CHEMBL3594418)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(NC(=S)Nc2ccccc2)c1C#N
Show InChI InChI=1S/C21H18N8O3S4/c1-34-19-14(10-22)18(27-20(33)24-12-5-3-2-4-6-12)29(28-19)11-17(30)26-21-25-15-8-7-13(36(23,31)32)9-16(15)35-21/h2-9H,11H2,1H3,(H2,23,31,32)(H2,24,27,33)(H,25,26,30)
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160n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098366
PNG
(CHEMBL3594406)
Show SMILES Nc1nc(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)nc2[nH]ncc12
Show InChI InChI=1S/C14H12N8O3S3/c15-11-7-4-17-22-12(7)21-13(20-11)26-5-10(23)19-14-18-8-2-1-6(28(16,24)25)3-9(8)27-14/h1-4H,5H2,(H2,16,24,25)(H,18,19,23)(H3,15,17,20,21,22)
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172n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098366
PNG
(CHEMBL3594406)
Show SMILES Nc1nc(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)nc2[nH]ncc12
Show InChI InChI=1S/C14H12N8O3S3/c15-11-7-4-17-22-12(7)21-13(20-11)26-5-10(23)19-14-18-8-2-1-6(28(16,24)25)3-9(8)27-14/h1-4H,5H2,(H2,16,24,25)(H,18,19,23)(H3,15,17,20,21,22)
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182n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098365
PNG
(CHEMBL3594408)
Show SMILES Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)n2N)cc1Cl
Show InChI InChI=1S/C19H18ClN7O4S3/c1-10-2-3-11(6-13(10)20)31-8-16-25-26-19(27(16)21)32-9-17(28)24-18-23-14-5-4-12(34(22,29)30)7-15(14)33-18/h2-7H,8-9,21H2,1H3,(H2,22,29,30)(H,23,24,28)
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222n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50098366
PNG
(CHEMBL3594406)
Show SMILES Nc1nc(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)nc2[nH]ncc12
Show InChI InChI=1S/C14H12N8O3S3/c15-11-7-4-17-22-12(7)21-13(20-11)26-5-10(23)19-14-18-8-2-1-6(28(16,24)25)3-9(8)27-14/h1-4H,5H2,(H2,16,24,25)(H,18,19,23)(H3,15,17,20,21,22)
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226n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098369
PNG
(CHEMBL3594407)
Show SMILES Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N7O3S3/c19-25-15(8-11-4-2-1-3-5-11)23-24-18(25)29-10-16(26)22-17-21-13-7-6-12(31(20,27)28)9-14(13)30-17/h1-7,9H,8,10,19H2,(H2,20,27,28)(H,21,22,26)
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244n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098368
PNG
(CHEMBL3594404)
Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)n1
Show InChI InChI=1S/C13H12N6O4S3/c14-9-4-10(20)18-12(17-9)24-5-11(21)19-13-16-7-2-1-6(26(15,22)23)3-8(7)25-13/h1-4H,5H2,(H2,15,22,23)(H,16,19,21)(H3,14,17,18,20)
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253n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50098364
PNG
(CHEMBL3594409)
Show SMILES Nn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C18H15Cl2N7O4S3/c19-9-1-4-13(11(20)5-9)31-7-15-25-26-18(27(15)21)32-8-16(28)24-17-23-12-3-2-10(34(22,29)30)6-14(12)33-17/h1-6H,7-8,21H2,(H2,22,29,30)(H,23,24,28)
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258n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098362
PNG
(CHEMBL3594411)
Show SMILES Nc1c(cnn1CC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O)C#N
Show InChI InChI=1S/C13H11N7O3S2/c14-4-7-5-17-20(12(7)15)6-11(21)19-13-18-9-2-1-8(25(16,22)23)3-10(9)24-13/h1-3,5H,6,15H2,(H2,16,22,23)(H,18,19,21)
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276n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098367
PNG
(CHEMBL3594405)
Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)CSc3nc(O)cc(=O)[nH]3)sc2c1
Show InChI InChI=1S/C13H11N5O5S3/c14-26(22,23)6-1-2-7-8(3-6)25-13(15-7)18-11(21)5-24-12-16-9(19)4-10(20)17-12/h1-4H,5H2,(H2,14,22,23)(H,15,18,21)(H2,16,17,19,20)
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282n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50098361
PNG
(CHEMBL3594412)
Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(N)c1C#N
Show InChI InChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16)
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PubMed
295n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


Article DOI: 10.1016/j.bmc.2015.05.019
BindingDB Entry DOI: 10.7270/Q2668FX2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%