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PubMed code 25194929

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025357
PNG
(CHEMBL3337907)
Show SMILES Cc1cccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(CC=C)c(=O)c12
Show InChI InChI=1S/C20H20N4O4S2/c1-3-11-24-19(26)18-13(2)5-4-6-16(18)23-20(24)29-12-17(25)22-14-7-9-15(10-8-14)30(21,27)28/h3-10H,1,11-12H2,2H3,(H,22,25)(H2,21,27,28)
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1.30n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025386
PNG
(CHEMBL3337909)
Show SMILES Cc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C24H22N4O4S2/c1-16-7-12-21-20(13-16)23(30)28(14-17-5-3-2-4-6-17)24(27-21)33-15-22(29)26-18-8-10-19(11-9-18)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
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1.70n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025374
PNG
(CHEMBL3337908)
Show SMILES Cc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(CC=C)c(=O)c2c1
Show InChI InChI=1S/C20H20N4O4S2/c1-3-10-24-19(26)16-11-13(2)4-9-17(16)23-20(24)29-12-18(25)22-14-5-7-15(8-6-14)30(21,27)28/h3-9,11H,1,10,12H2,2H3,(H,22,25)(H2,21,27,28)
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1.80n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
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



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025468
PNG
(CHEMBL3337913)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc(cc3c(=O)n2CC=C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H17N5O6S2/c1-2-9-23-18(26)15-10-13(24(27)28)5-8-16(15)22-19(23)31-11-17(25)21-12-3-6-14(7-4-12)32(20,29)30/h2-8,10H,1,9,11H2,(H,21,25)(H2,20,29,30)
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12n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025626
PNG
(CHEMBL3337996)
Show SMILES COc1cccc2c1nc(SCC(=O)Nc1ccc(cc1)S(N)(=O)=O)n(Cc1ccccc1)c2=S
Show InChI InChI=1S/C24H22N4O4S3/c1-32-20-9-5-8-19-22(20)27-24(28(23(19)33)14-16-6-3-2-4-7-16)34-15-21(29)26-17-10-12-18(13-11-17)35(25,30)31/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,30,31)
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65n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025616
PNG
(CHEMBL3337993)
Show SMILES Cc1cccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3)c(=S)c12
Show InChI InChI=1S/C24H22N4O3S3/c1-16-6-5-9-20-22(16)23(32)28(14-17-7-3-2-4-8-17)24(27-20)33-15-21(29)26-18-10-12-19(13-11-18)34(25,30)31/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,30,31)
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68n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025621
PNG
(CHEMBL3337994)
Show SMILES Cc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3)c(=S)c2c1
Show InChI InChI=1S/C24H22N4O3S3/c1-16-7-12-21-20(13-16)23(32)28(14-17-5-3-2-4-6-17)24(27-21)33-15-22(29)26-18-8-10-19(11-9-18)34(25,30)31/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,30,31)
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78n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025386
PNG
(CHEMBL3337909)
Show SMILES Cc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C24H22N4O4S2/c1-16-7-12-21-20(13-16)23(30)28(14-17-5-3-2-4-6-17)24(27-21)33-15-22(29)26-18-8-10-19(11-9-18)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
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87n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025627
PNG
(CHEMBL3337997)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc(cc3c(=S)n2Cc2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H19N5O5S3/c24-36(32,33)18-9-6-16(7-10-18)25-21(29)14-35-23-26-20-11-8-17(28(30)31)12-19(20)22(34)27(23)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,29)(H2,24,32,33)
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96n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025357
PNG
(CHEMBL3337907)
Show SMILES Cc1cccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(CC=C)c(=O)c12
Show InChI InChI=1S/C20H20N4O4S2/c1-3-11-24-19(26)18-13(2)5-4-6-16(18)23-20(24)29-12-17(25)22-14-7-9-15(10-8-14)30(21,27)28/h3-10H,1,11-12H2,2H3,(H,22,25)(H2,21,27,28)
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105n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025625
PNG
(CHEMBL3337995)
Show SMILES Cc1cccc2c1nc(SCC(=O)Nc1ccc(cc1)S(N)(=O)=O)n(Cc1ccccc1)c2=S
Show InChI InChI=1S/C24H22N4O3S3/c1-16-6-5-9-20-22(16)27-24(28(23(20)32)14-17-7-3-2-4-8-17)33-15-21(29)26-18-10-12-19(13-11-18)34(25,30)31/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,30,31)
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114n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025374
PNG
(CHEMBL3337908)
Show SMILES Cc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(CC=C)c(=O)c2c1
Show InChI InChI=1S/C20H20N4O4S2/c1-3-10-24-19(26)16-11-13(2)4-9-17(16)23-20(24)29-12-18(25)22-14-5-7-15(8-6-14)30(21,27)28/h3-9,11H,1,10,12H2,2H3,(H,22,25)(H2,21,27,28)
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119n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025599
PNG
(CHEMBL3337914)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc(cc3c(=O)n2Cc2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H19N5O6S2/c24-36(33,34)18-9-6-16(7-10-18)25-21(29)14-35-23-26-20-11-8-17(28(31)32)12-19(20)22(30)27(23)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,29)(H2,24,33,34)
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123n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025393
PNG
(CHEMBL3337910)
Show SMILES Cc1cccc2c1nc(SCC(=O)Nc1ccc(cc1)S(N)(=O)=O)n(Cc1ccccc1)c2=O
Show InChI InChI=1S/C24H22N4O4S2/c1-16-6-5-9-20-22(16)27-24(28(23(20)30)14-17-7-3-2-4-8-17)33-15-21(29)26-18-10-12-19(13-11-18)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
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208n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025409
PNG
(CHEMBL3337912)
Show SMILES COc1cccc2c1nc(SCC(=O)Nc1ccc(cc1)S(N)(=O)=O)n(Cc1ccccc1)c2=O
Show InChI InChI=1S/C24H22N4O5S2/c1-33-20-9-5-8-19-22(20)27-24(28(23(19)30)14-16-6-3-2-4-7-16)34-15-21(29)26-17-10-12-18(13-11-17)35(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
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209n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50025408
PNG
(CHEMBL3337911)
Show SMILES COc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C24H22N4O5S2/c1-33-18-9-12-21-20(13-18)23(30)28(14-16-5-3-2-4-6-16)24(27-21)34-15-22(29)26-17-7-10-19(11-8-17)35(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
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234n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
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



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025468
PNG
(CHEMBL3337913)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc(cc3c(=O)n2CC=C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H17N5O6S2/c1-2-9-23-18(26)15-10-13(24(27)28)5-8-16(15)22-19(23)31-11-17(25)21-12-3-6-14(7-4-12)32(20,29)30/h2-8,10H,1,9,11H2,(H,21,25)(H2,20,29,30)
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674n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025621
PNG
(CHEMBL3337994)
Show SMILES Cc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3)c(=S)c2c1
Show InChI InChI=1S/C24H22N4O3S3/c1-16-7-12-21-20(13-16)23(32)28(14-17-5-3-2-4-6-17)24(27-21)33-15-22(29)26-18-8-10-19(11-9-18)34(25,30)31/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,30,31)
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793n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025626
PNG
(CHEMBL3337996)
Show SMILES COc1cccc2c1nc(SCC(=O)Nc1ccc(cc1)S(N)(=O)=O)n(Cc1ccccc1)c2=S
Show InChI InChI=1S/C24H22N4O4S3/c1-32-20-9-5-8-19-22(20)27-24(28(23(19)33)14-16-6-3-2-4-7-16)34-15-21(29)26-17-10-12-18(13-11-17)35(25,30)31/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,30,31)
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803n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025393
PNG
(CHEMBL3337910)
Show SMILES Cc1cccc2c1nc(SCC(=O)Nc1ccc(cc1)S(N)(=O)=O)n(Cc1ccccc1)c2=O
Show InChI InChI=1S/C24H22N4O4S2/c1-16-6-5-9-20-22(16)27-24(28(23(20)30)14-17-7-3-2-4-8-17)33-15-21(29)26-18-10-12-19(13-11-18)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
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2.08E+3n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025625
PNG
(CHEMBL3337995)
Show SMILES Cc1cccc2c1nc(SCC(=O)Nc1ccc(cc1)S(N)(=O)=O)n(Cc1ccccc1)c2=S
Show InChI InChI=1S/C24H22N4O3S3/c1-16-6-5-9-20-22(16)27-24(28(23(20)32)14-17-7-3-2-4-8-17)33-15-21(29)26-18-10-12-19(13-11-18)34(25,30)31/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,30,31)
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2.16E+3n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025599
PNG
(CHEMBL3337914)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc(cc3c(=O)n2Cc2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H19N5O6S2/c24-36(33,34)18-9-6-16(7-10-18)25-21(29)14-35-23-26-20-11-8-17(28(31)32)12-19(20)22(30)27(23)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,29)(H2,24,33,34)
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3.37E+3n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025616
PNG
(CHEMBL3337993)
Show SMILES Cc1cccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3)c(=S)c12
Show InChI InChI=1S/C24H22N4O3S3/c1-16-6-5-9-20-22(16)23(32)28(14-17-7-3-2-4-8-17)24(27-20)33-15-21(29)26-18-10-12-19(13-11-18)34(25,30)31/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,30,31)
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4.17E+3n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025627
PNG
(CHEMBL3337997)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc(cc3c(=S)n2Cc2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H19N5O5S3/c24-36(32,33)18-9-6-16(7-10-18)25-21(29)14-35-23-26-20-11-8-17(28(30)31)12-19(20)22(34)27(23)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,29)(H2,24,32,33)
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4.55E+3n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025408
PNG
(CHEMBL3337911)
Show SMILES COc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C24H22N4O5S2/c1-33-18-9-12-21-20(13-18)23(30)28(14-16-5-3-2-4-6-16)24(27-21)34-15-22(29)26-17-7-10-19(11-8-17)35(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
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4.76E+3n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50025409
PNG
(CHEMBL3337912)
Show SMILES COc1cccc2c1nc(SCC(=O)Nc1ccc(cc1)S(N)(=O)=O)n(Cc1ccccc1)c2=O
Show InChI InChI=1S/C24H22N4O5S2/c1-33-20-9-5-8-19-22(20)27-24(28(23(19)30)14-16-6-3-2-4-7-16)34-15-21(29)26-17-10-12-18(13-11-17)35(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
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5.43E+3n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%