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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50000488   
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))
BDBM50251369
PNG
(CHEMBL4084006)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2cccc(\C=N\c3nnc(s3)S(N)(=O)=O)c2)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-2-1-3-8(4-7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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0.400n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251369
PNG
(CHEMBL4084006)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2cccc(\C=N\c3nnc(s3)S(N)(=O)=O)c2)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-2-1-3-8(4-7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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0.5n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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2.5n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251362
PNG
(CHEMBL4094786)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccccc2\C=N\c2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-3-1-2-4-8(7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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5.80n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251376
PNG
(CHEMBL4074283)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccc(\C=N\c3nnc(s3)S(N)(=O)=O)o2)s1
Show InChI InChI=1S/C10H8N8O5S4/c11-26(19,20)9-17-15-7(24-9)13-3-5-1-2-6(23-5)4-14-8-16-18-10(25-8)27(12,21)22/h1-4H,(H2,11,19,20)(H2,12,21,22)/b13-3+,14-4+
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5.90n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251362
PNG
(CHEMBL4094786)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccccc2\C=N\c2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-3-1-2-4-8(7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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7n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251376
PNG
(CHEMBL4074283)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccc(\C=N\c3nnc(s3)S(N)(=O)=O)o2)s1
Show InChI InChI=1S/C10H8N8O5S4/c11-26(19,20)9-17-15-7(24-9)13-3-5-1-2-6(23-5)4-14-8-16-18-10(25-8)27(12,21)22/h1-4H,(H2,11,19,20)(H2,12,21,22)/b13-3+,14-4+
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8n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251375
PNG
(CHEMBL4062292)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccc(\C=N\c3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-1-2-8(4-3-7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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9.5n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
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



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50251369
PNG
(CHEMBL4084006)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2cccc(\C=N\c3nnc(s3)S(N)(=O)=O)c2)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-2-1-3-8(4-7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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16n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251377
PNG
(CHEMBL4084428)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1\C=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-3-1-2-4-16(15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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18n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251367
PNG
(CHEMBL4104793)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccccc2\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C24H26N4O4S2/c25-33(29,30)23-9-5-19(6-10-23)13-15-27-17-21-3-1-2-4-22(21)18-28-16-14-20-7-11-24(12-8-20)34(26,31)32/h1-12,17-18H,13-16H2,(H2,25,29,30)(H2,26,31,32)/b27-17+,28-18+
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18n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251377
PNG
(CHEMBL4084428)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1\C=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-3-1-2-4-16(15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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22n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
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



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251375
PNG
(CHEMBL4062292)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccc(\C=N\c3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-1-2-8(4-3-7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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25n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251367
PNG
(CHEMBL4104793)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccccc2\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C24H26N4O4S2/c25-33(29,30)23-9-5-19(6-10-23)13-15-27-17-21-3-1-2-4-22(21)18-28-16-14-20-7-11-24(12-8-20)34(26,31)32/h1-12,17-18H,13-16H2,(H2,25,29,30)(H2,26,31,32)/b27-17+,28-18+
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36n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251371
PNG
(CHEMBL4078530)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-8-4-17(5-9-19)23-13-15-2-1-3-16(12-15)14-24-18-6-10-20(11-7-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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48n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50251376
PNG
(CHEMBL4074283)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccc(\C=N\c3nnc(s3)S(N)(=O)=O)o2)s1
Show InChI InChI=1S/C10H8N8O5S4/c11-26(19,20)9-17-15-7(24-9)13-3-5-1-2-6(23-5)4-14-8-16-18-10(25-8)27(12,21)22/h1-4H,(H2,11,19,20)(H2,12,21,22)/b13-3+,14-4+
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55n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50251362
PNG
(CHEMBL4094786)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccccc2\C=N\c2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-3-1-2-4-8(7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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55n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251363
PNG
(CHEMBL4069880)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1cccc(\C=N\c2cccc(c2)S(N)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-8-2-6-17(11-19)23-13-15-4-1-5-16(10-15)14-24-18-7-3-9-20(12-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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58n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50251376
PNG
(CHEMBL4074283)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccc(\C=N\c3nnc(s3)S(N)(=O)=O)o2)s1
Show InChI InChI=1S/C10H8N8O5S4/c11-26(19,20)9-17-15-7(24-9)13-3-5-1-2-6(23-5)4-14-8-16-18-10(25-8)27(12,21)22/h1-4H,(H2,11,19,20)(H2,12,21,22)/b13-3+,14-4+
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73n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251372
PNG
(CHEMBL4062747)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)o1
Show InChI InChI=1S/C18H16N4O5S2/c19-28(23,24)17-7-1-13(2-8-17)21-11-15-5-6-16(27-15)12-22-14-3-9-18(10-4-14)29(20,25)26/h1-12H,(H2,19,23,24)(H2,20,25,26)/b21-11+,22-12+
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76n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251372
PNG
(CHEMBL4062747)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)o1
Show InChI InChI=1S/C18H16N4O5S2/c19-28(23,24)17-7-1-13(2-8-17)21-11-15-5-6-16(27-15)12-22-14-3-9-18(10-4-14)29(20,25)26/h1-12H,(H2,19,23,24)(H2,20,25,26)/b21-11+,22-12+
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77n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50251362
PNG
(CHEMBL4094786)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccccc2\C=N\c2nnc(s2)S(N)(=O)=O)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-3-1-2-4-8(7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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90n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251364
PNG
(CHEMBL4089367)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1ccccc1\C=N\c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-3-7-17(11-19)23-13-15-5-1-2-6-16(15)14-24-18-8-4-10-20(12-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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90n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251371
PNG
(CHEMBL4078530)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-8-4-17(5-9-19)23-13-15-2-1-3-16(12-15)14-24-18-6-10-20(11-7-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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93n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251373
PNG
(CHEMBL4097076)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1ccc(\C=N\c2cccc(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-5-1-3-17(11-19)23-13-15-7-9-16(10-8-15)14-24-18-4-2-6-20(12-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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94n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50251369
PNG
(CHEMBL4084006)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2cccc(\C=N\c3nnc(s3)S(N)(=O)=O)c2)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-2-1-3-8(4-7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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149n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251368
PNG
(CHEMBL4080565)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(\C=N\CCc3ccc(cc3)S(N)(=O)=O)o2)cc1
Show InChI InChI=1S/C22H24N4O5S2/c23-32(27,28)21-7-1-17(2-8-21)11-13-25-15-19-5-6-20(31-19)16-26-14-12-18-3-9-22(10-4-18)33(24,29)30/h1-10,15-16H,11-14H2,(H2,23,27,28)(H2,24,29,30)/b25-15+,26-16+
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153n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251365
PNG
(CHEMBL4061217)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1ccc(\C=N\c2cccc(c2)S(N)(=O)=O)o1
Show InChI InChI=1S/C18H16N4O5S2/c19-28(23,24)17-5-1-3-13(9-17)21-11-15-7-8-16(27-15)12-22-14-4-2-6-18(10-14)29(20,25)26/h1-12H,(H2,19,23,24)(H2,20,25,26)/b21-11+,22-12+
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175n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
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



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251374
PNG
(CHEMBL4067173)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(\C=N\CCc3ccc(cc3)S(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C24H26N4O4S2/c25-33(29,30)23-9-5-19(6-10-23)13-15-27-17-21-1-2-22(4-3-21)18-28-16-14-20-7-11-24(12-8-20)34(26,31)32/h1-12,17-18H,13-16H2,(H2,25,29,30)(H2,26,31,32)/b27-17+,28-18+
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262n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251368
PNG
(CHEMBL4080565)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(\C=N\CCc3ccc(cc3)S(N)(=O)=O)o2)cc1
Show InChI InChI=1S/C22H24N4O5S2/c23-32(27,28)21-7-1-17(2-8-21)11-13-25-15-19-5-6-20(31-19)16-26-14-12-18-3-9-22(10-4-18)33(24,29)30/h1-10,15-16H,11-14H2,(H2,23,27,28)(H2,24,29,30)/b25-15+,26-16+
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309n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251366
PNG
(CHEMBL4088431)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(\C=N\CCc3ccc(cc3)S(N)(=O)=O)c2)cc1
Show InChI InChI=1S/C24H26N4O4S2/c25-33(29,30)23-8-4-19(5-9-23)12-14-27-17-21-2-1-3-22(16-21)18-28-15-13-20-6-10-24(11-7-20)34(26,31)32/h1-11,16-18H,12-15H2,(H2,25,29,30)(H2,26,31,32)/b27-17+,28-18+
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319n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50251375
PNG
(CHEMBL4062292)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccc(\C=N\c3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-1-2-8(4-3-7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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385n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251366
PNG
(CHEMBL4088431)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(\C=N\CCc3ccc(cc3)S(N)(=O)=O)c2)cc1
Show InChI InChI=1S/C24H26N4O4S2/c25-33(29,30)23-8-4-19(5-9-23)12-14-27-17-21-2-1-3-22(16-21)18-28-15-13-20-6-10-24(11-7-20)34(26,31)32/h1-11,16-18H,12-15H2,(H2,25,29,30)(H2,26,31,32)/b27-17+,28-18+
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395n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50251375
PNG
(CHEMBL4062292)
Show SMILES NS(=O)(=O)c1nnc(\N=C\c2ccc(\C=N\c3nnc(s3)S(N)(=O)=O)cc2)s1
Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-1-2-8(4-3-7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+
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408n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251365
PNG
(CHEMBL4061217)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1ccc(\C=N\c2cccc(c2)S(N)(=O)=O)o1
Show InChI InChI=1S/C18H16N4O5S2/c19-28(23,24)17-5-1-3-13(9-17)21-11-15-7-8-16(27-15)12-22-14-4-2-6-18(10-14)29(20,25)26/h1-12H,(H2,19,23,24)(H2,20,25,26)/b21-11+,22-12+
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516n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251374
PNG
(CHEMBL4067173)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(\C=N\CCc3ccc(cc3)S(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C24H26N4O4S2/c25-33(29,30)23-9-5-19(6-10-23)13-15-27-17-21-1-2-22(4-3-21)18-28-16-14-20-7-11-24(12-8-20)34(26,31)32/h1-12,17-18H,13-16H2,(H2,25,29,30)(H2,26,31,32)/b27-17+,28-18+
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559n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50251367
PNG
(CHEMBL4104793)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccccc2\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C24H26N4O4S2/c25-33(29,30)23-9-5-19(6-10-23)13-15-27-17-21-3-1-2-4-22(21)18-28-16-14-20-7-11-24(12-8-20)34(26,31)32/h1-12,17-18H,13-16H2,(H2,25,29,30)(H2,26,31,32)/b27-17+,28-18+
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583n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251370
PNG
(CHEMBL4096555)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-1-2-16(4-3-15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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646n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50251367
PNG
(CHEMBL4104793)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccccc2\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C24H26N4O4S2/c25-33(29,30)23-9-5-19(6-10-23)13-15-27-17-21-3-1-2-4-22(21)18-28-16-14-20-7-11-24(12-8-20)34(26,31)32/h1-12,17-18H,13-16H2,(H2,25,29,30)(H2,26,31,32)/b27-17+,28-18+
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674n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50251366
PNG
(CHEMBL4088431)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2cccc(\C=N\CCc3ccc(cc3)S(N)(=O)=O)c2)cc1
Show InChI InChI=1S/C24H26N4O4S2/c25-33(29,30)23-8-4-19(5-9-23)12-14-27-17-21-2-1-3-22(16-21)18-28-15-13-20-6-10-24(11-7-20)34(26,31)32/h1-11,16-18H,12-15H2,(H2,25,29,30)(H2,26,31,32)/b27-17+,28-18+
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676n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251363
PNG
(CHEMBL4069880)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1cccc(\C=N\c2cccc(c2)S(N)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-8-2-6-17(11-19)23-13-15-4-1-5-16(10-15)14-24-18-7-3-9-20(12-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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678n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50251372
PNG
(CHEMBL4062747)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)o1
Show InChI InChI=1S/C18H16N4O5S2/c19-28(23,24)17-7-1-13(2-8-17)21-11-15-5-6-16(27-15)12-22-14-3-9-18(10-4-14)29(20,25)26/h1-12H,(H2,19,23,24)(H2,20,25,26)/b21-11+,22-12+
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775n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50251371
PNG
(CHEMBL4078530)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-8-4-17(5-9-19)23-13-15-2-1-3-16(12-15)14-24-18-6-10-20(11-7-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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781n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50251377
PNG
(CHEMBL4084428)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1\C=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-3-1-2-4-16(15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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845n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50251364
PNG
(CHEMBL4089367)
Show SMILES NS(=O)(=O)c1cccc(c1)\N=C\c1ccccc1\C=N\c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-3-7-17(11-19)23-13-15-5-1-2-6-16(15)14-24-18-8-4-10-20(12-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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861n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50251372
PNG
(CHEMBL4062747)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)o1
Show InChI InChI=1S/C18H16N4O5S2/c19-28(23,24)17-7-1-13(2-8-17)21-11-15-5-6-16(27-15)12-22-14-3-9-18(10-4-14)29(20,25)26/h1-12H,(H2,19,23,24)(H2,20,25,26)/b21-11+,22-12+
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892n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50251371
PNG
(CHEMBL4078530)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-8-4-17(5-9-19)23-13-15-2-1-3-16(12-15)14-24-18-6-10-20(11-7-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
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912n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
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