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PubMed code 26422787

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (human))
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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6n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125572
PNG
(CHEMBL3623634)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(N)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-18(30)12-17)27-22(14-29(3,4)16-24(27)34)32(21)19-8-10-20(11-9-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)
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30n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125366
PNG
(CHEMBL3623639)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C38H43N3O6S2/c1-22-16-23(2)36(24(3)17-22)49(46,47)40-26-10-8-25(9-11-26)33-34-29(18-37(4,5)20-31(34)42)41(27-12-14-28(15-13-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)
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90n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125567
PNG
(CHEMBL3623645)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C38H43N3O6S2/c1-22-15-23(2)36(24(3)16-22)49(46,47)40-26-10-8-9-25(17-26)33-34-29(18-37(4,5)20-31(34)42)41(27-11-13-28(14-12-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)
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90n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125573
PNG
(CHEMBL3623635)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-10-12-23(13-11-22)37-46(43,44)26-8-6-5-7-9-26)33-28(19-35(3,4)21-30(33)40)38(27)24-14-16-25(17-15-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)
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100n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125574
PNG
(CHEMBL3623636)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O6S2/c1-22-6-14-27(15-7-22)47(44,45)38-24-10-8-23(9-11-24)32-33-28(18-35(2,3)20-30(33)40)39(25-12-16-26(17-13-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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100n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125369
PNG
(CHEMBL3623642)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O6S2/c1-22-9-13-27(14-10-22)47(44,45)38-24-8-6-7-23(17-24)32-33-28(18-35(2,3)20-30(33)40)39(25-11-15-26(16-12-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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100n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125368
PNG
(CHEMBL3623641)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-9-8-10-23(17-22)37-46(43,44)26-11-6-5-7-12-26)33-28(19-35(3,4)21-30(33)40)38(27)24-13-15-25(16-14-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)
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110n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125408
PNG
(CHEMBL3623644)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-6-5-7-23(16-21)38-47(44,45)26-12-8-22(36)9-13-26)33-28(18-35(3,4)20-30(33)41)39(27)24-10-14-25(15-11-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)
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250n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
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



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125370
PNG
(CHEMBL3623643)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-7-6-8-23(17-22)38-48(44,45)27-15-11-25(46-5)12-16-27)34-29(19-36(3,4)21-31(34)41)39(28)24-9-13-26(14-10-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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250n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125366
PNG
(CHEMBL3623639)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C38H43N3O6S2/c1-22-16-23(2)36(24(3)17-22)49(46,47)40-26-10-8-25(9-11-26)33-34-29(18-37(4,5)20-31(34)42)41(27-12-14-28(15-13-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)
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260n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125367
PNG
(CHEMBL3623640)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(25-9-12-27(13-10-25)41-50(47,48)30-16-11-24-7-5-6-8-26(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-14-17-29(18-15-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)
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280n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125569
PNG
(CHEMBL3623631)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-5-7-19(8-6-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-9-11-20(12-10-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)
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350n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125364
PNG
(CHEMBL3623637)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-6-8-23(9-7-22)38-48(44,45)27-16-12-25(46-5)13-17-27)34-29(19-36(3,4)21-31(34)41)39(28)24-10-14-26(15-11-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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370n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125367
PNG
(CHEMBL3623640)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(25-9-12-27(13-10-25)41-50(47,48)30-16-11-24-7-5-6-8-26(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-14-17-29(18-15-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)
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370n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125368
PNG
(CHEMBL3623641)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-9-8-10-23(17-22)37-46(43,44)26-11-6-5-7-12-26)33-28(19-35(3,4)21-30(33)40)38(27)24-13-15-25(16-14-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)
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380n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125369
PNG
(CHEMBL3623642)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O6S2/c1-22-9-13-27(14-10-22)47(44,45)38-24-8-6-7-23(17-24)32-33-28(18-35(2,3)20-30(33)40)39(25-11-15-26(16-12-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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390n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125570
PNG
(CHEMBL3623632)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-19(12-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-8-10-20(11-9-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)
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420n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125567
PNG
(CHEMBL3623645)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C38H43N3O6S2/c1-22-15-23(2)36(24(3)16-22)49(46,47)40-26-10-8-9-25(17-26)33-34-29(18-37(4,5)20-31(34)42)41(27-11-13-28(14-12-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)
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430n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125364
PNG
(CHEMBL3623637)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-6-8-23(9-7-22)38-48(44,45)27-16-12-25(46-5)13-17-27)34-29(19-36(3,4)21-31(34)41)39(28)24-10-14-26(15-11-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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440n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125408
PNG
(CHEMBL3623644)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-6-5-7-23(16-21)38-47(44,45)26-12-8-22(36)9-13-26)33-28(18-35(3,4)20-30(33)41)39(27)24-10-14-25(15-11-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)
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450n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125367
PNG
(CHEMBL3623640)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(25-9-12-27(13-10-25)41-50(47,48)30-16-11-24-7-5-6-8-26(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-14-17-29(18-15-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)
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470n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125366
PNG
(CHEMBL3623639)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C38H43N3O6S2/c1-22-16-23(2)36(24(3)17-22)49(46,47)40-26-10-8-25(9-11-26)33-34-29(18-37(4,5)20-31(34)42)41(27-12-14-28(15-13-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)
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480n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125568
PNG
(CHEMBL3623646)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(26-10-7-11-27(18-26)41-50(47,48)30-15-12-24-8-5-6-9-25(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-13-16-29(17-14-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)
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500n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125570
PNG
(CHEMBL3623632)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-19(12-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-8-10-20(11-9-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)
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500n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125572
PNG
(CHEMBL3623634)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(N)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-18(30)12-17)27-22(14-29(3,4)16-24(27)34)32(21)19-8-10-20(11-9-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)
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500n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125567
PNG
(CHEMBL3623645)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C38H43N3O6S2/c1-22-15-23(2)36(24(3)16-22)49(46,47)40-26-10-8-9-25(17-26)33-34-29(18-37(4,5)20-31(34)42)41(27-11-13-28(14-12-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)
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520n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125574
PNG
(CHEMBL3623636)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O6S2/c1-22-6-14-27(15-7-22)47(44,45)38-24-10-8-23(9-11-24)32-33-28(18-35(2,3)20-30(33)40)39(25-12-16-26(17-13-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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530n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125408
PNG
(CHEMBL3623644)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-6-5-7-23(16-21)38-47(44,45)26-12-8-22(36)9-13-26)33-28(18-35(3,4)20-30(33)41)39(27)24-10-14-25(15-11-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)
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560n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125573
PNG
(CHEMBL3623635)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-10-12-23(13-11-22)37-46(43,44)26-8-6-5-7-9-26)33-28(19-35(3,4)21-30(33)40)38(27)24-14-16-25(17-15-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)
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580n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125365
PNG
(CHEMBL3623638)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-5-9-23(10-6-21)38-47(44,45)26-13-7-22(36)8-14-26)33-28(18-35(3,4)20-30(33)41)39(27)24-11-15-25(16-12-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)
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600n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125571
PNG
(CHEMBL3623633)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(N)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-5-7-18(30)8-6-17)27-22(14-29(3,4)16-24(27)34)32(21)19-9-11-20(12-10-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)
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610n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125573
PNG
(CHEMBL3623635)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-10-12-23(13-11-22)37-46(43,44)26-8-6-5-7-9-26)33-28(19-35(3,4)21-30(33)40)38(27)24-14-16-25(17-15-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)
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640n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125569
PNG
(CHEMBL3623631)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-5-7-19(8-6-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-9-11-20(12-10-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)
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640n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125571
PNG
(CHEMBL3623633)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(N)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-5-7-18(30)8-6-17)27-22(14-29(3,4)16-24(27)34)32(21)19-9-11-20(12-10-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)
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650n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125570
PNG
(CHEMBL3623632)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-19(12-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-8-10-20(11-9-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)
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690n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125369
PNG
(CHEMBL3623642)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O6S2/c1-22-9-13-27(14-10-22)47(44,45)38-24-8-6-7-23(17-24)32-33-28(18-35(2,3)20-30(33)40)39(25-11-15-26(16-12-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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780n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125370
PNG
(CHEMBL3623643)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-7-6-8-23(17-22)38-48(44,45)27-15-11-25(46-5)12-16-27)34-29(19-36(3,4)21-31(34)41)39(28)24-9-13-26(14-10-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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800n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125568
PNG
(CHEMBL3623646)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(26-10-7-11-27(18-26)41-50(47,48)30-15-12-24-8-5-6-9-25(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-13-16-29(17-14-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)
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810n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125568
PNG
(CHEMBL3623646)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(26-10-7-11-27(18-26)41-50(47,48)30-15-12-24-8-5-6-9-25(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-13-16-29(17-14-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)
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830n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125365
PNG
(CHEMBL3623638)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-5-9-23(10-6-21)38-47(44,45)26-13-7-22(36)8-14-26)33-28(18-35(3,4)20-30(33)41)39(27)24-11-15-25(16-12-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)
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860n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125570
PNG
(CHEMBL3623632)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-19(12-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-8-10-20(11-9-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)
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890n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125364
PNG
(CHEMBL3623637)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-6-8-23(9-7-22)38-48(44,45)27-16-12-25(46-5)13-17-27)34-29(19-36(3,4)21-31(34)41)39(28)24-10-14-26(15-11-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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920n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125370
PNG
(CHEMBL3623643)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-7-6-8-23(17-22)38-48(44,45)27-15-11-25(46-5)12-16-27)34-29(19-36(3,4)21-31(34)41)39(28)24-9-13-26(14-10-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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920n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125572
PNG
(CHEMBL3623634)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(N)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-18(30)12-17)27-22(14-29(3,4)16-24(27)34)32(21)19-8-10-20(11-9-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)
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920n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50125574
PNG
(CHEMBL3623636)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O6S2/c1-22-6-14-27(15-7-22)47(44,45)38-24-10-8-23(9-11-24)32-33-28(18-35(2,3)20-30(33)40)39(25-12-16-26(17-13-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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960n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125571
PNG
(CHEMBL3623633)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(N)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-5-7-18(30)8-6-17)27-22(14-29(3,4)16-24(27)34)32(21)19-9-11-20(12-10-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)
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1.00E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50125368
PNG
(CHEMBL3623641)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-9-8-10-23(17-22)37-46(43,44)26-11-6-5-7-12-26)33-28(19-35(3,4)21-30(33)40)38(27)24-13-15-25(16-14-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)
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1.02E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125569
PNG
(CHEMBL3623631)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-5-7-19(8-6-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-9-11-20(12-10-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)
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1.02E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50125365
PNG
(CHEMBL3623638)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-5-9-23(10-6-21)38-47(44,45)26-13-7-22(36)8-14-26)33-28(18-35(3,4)20-30(33)41)39(27)24-11-15-25(16-12-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)
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1.12E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125573
PNG
(CHEMBL3623635)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-10-12-23(13-11-22)37-46(43,44)26-8-6-5-7-9-26)33-28(19-35(3,4)21-30(33)40)38(27)24-14-16-25(17-15-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)
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2.09E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125571
PNG
(CHEMBL3623633)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(N)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-5-7-18(30)8-6-17)27-22(14-29(3,4)16-24(27)34)32(21)19-9-11-20(12-10-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)
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2.50E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125367
PNG
(CHEMBL3623640)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(25-9-12-27(13-10-25)41-50(47,48)30-16-11-24-7-5-6-8-26(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-14-17-29(18-15-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)
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3.89E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125369
PNG
(CHEMBL3623642)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O6S2/c1-22-9-13-27(14-10-22)47(44,45)38-24-8-6-7-23(17-24)32-33-28(18-35(2,3)20-30(33)40)39(25-11-15-26(16-12-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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4.27E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125370
PNG
(CHEMBL3623643)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-7-6-8-23(17-22)38-48(44,45)27-15-11-25(46-5)12-16-27)34-29(19-36(3,4)21-31(34)41)39(28)24-9-13-26(14-10-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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4.31E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125574
PNG
(CHEMBL3623636)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O6S2/c1-22-6-14-27(15-7-22)47(44,45)38-24-10-8-23(9-11-24)32-33-28(18-35(2,3)20-30(33)40)39(25-12-16-26(17-13-25)46(37,42)43)29-19-36(4,5)21-31(41)34(29)32/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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4.55E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125569
PNG
(CHEMBL3623631)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H31N3O6S/c1-28(2)13-21-26(23(33)15-28)25(17-5-7-19(8-6-17)32(35)36)27-22(14-29(3,4)16-24(27)34)31(21)18-9-11-20(12-10-18)39(30,37)38/h5-12,25H,13-16H2,1-4H3,(H2,30,37,38)
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5.10E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125408
PNG
(CHEMBL3623644)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-6-5-7-23(16-21)38-47(44,45)26-12-8-22(36)9-13-26)33-28(18-35(3,4)20-30(33)41)39(27)24-10-14-25(15-11-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)
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5.38E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125366
PNG
(CHEMBL3623639)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C38H43N3O6S2/c1-22-16-23(2)36(24(3)17-22)49(46,47)40-26-10-8-25(9-11-26)33-34-29(18-37(4,5)20-31(34)42)41(27-12-14-28(15-13-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)
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5.62E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125567
PNG
(CHEMBL3623645)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C38H43N3O6S2/c1-22-15-23(2)36(24(3)16-22)49(46,47)40-26-10-8-9-25(17-26)33-34-29(18-37(4,5)20-31(34)42)41(27-11-13-28(14-12-27)48(39,44)45)30-19-38(6,7)21-32(43)35(30)33/h8-17,33,40H,18-21H2,1-7H3,(H2,39,44,45)
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6.52E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125365
PNG
(CHEMBL3623638)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H36BrN3O6S2/c1-34(2)17-27-32(29(40)19-34)31(21-5-9-23(10-6-21)38-47(44,45)26-13-7-22(36)8-14-26)33-28(18-35(3,4)20-30(33)41)39(27)24-11-15-25(16-12-24)46(37,42)43/h5-16,31,38H,17-20H2,1-4H3,(H2,37,42,43)
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6.53E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125568
PNG
(CHEMBL3623646)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(26-10-7-11-27(18-26)41-50(47,48)30-15-12-24-8-5-6-9-25(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-13-16-29(17-14-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)
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6.53E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125364
PNG
(CHEMBL3623637)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C36H39N3O7S2/c1-35(2)18-28-33(30(40)20-35)32(22-6-8-23(9-7-22)38-48(44,45)27-16-12-25(46-5)13-17-27)34-29(19-36(3,4)21-31(34)41)39(28)24-10-14-26(15-11-24)47(37,42)43/h6-17,32,38H,18-21H2,1-5H3,(H2,37,42,43)
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PubMed
6.92E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125572
PNG
(CHEMBL3623634)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(N)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-18(30)12-17)27-22(14-29(3,4)16-24(27)34)32(21)19-8-10-20(11-9-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)
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8.87E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50125368
PNG
(CHEMBL3623641)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C35H37N3O6S2/c1-34(2)18-27-32(29(39)20-34)31(22-9-8-10-23(17-22)37-46(43,44)26-11-6-5-7-12-26)33-28(19-35(3,4)21-30(33)40)38(27)24-13-15-25(16-14-24)45(36,41)42/h5-17,31,37H,18-21H2,1-4H3,(H2,36,41,42)
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PubMed
8.91E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...


Bioorg Med Chem 23: 6573-80 (2015)


Article DOI: 10.1016/j.bmc.2015.09.022
BindingDB Entry DOI: 10.7270/Q21Z4668
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%