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Compile Data Set for Download or QSAR

Found 228 hits with Last Name = 'abou el ella' and Initial = 'da'   
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))
BDBM50147171
PNG
(CHEMBL3764657)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O5S/c1-31-16-8-11-19-18(12-16)20(22(28)26-19)24-14-4-2-13(3-5-14)21(27)25-15-6-9-17(10-7-15)32(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
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0.470n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147167
PNG
(CHEMBL3764098)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
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0.540n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147168
PNG
(CHEMBL3765057)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H15BrN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
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0.580n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147170
PNG
(CHEMBL3765390)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H18N4O4S/c1-13-2-11-19-18(12-13)20(22(28)26-19)24-15-5-3-14(4-6-15)21(27)25-16-7-9-17(10-8-16)31(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)
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0.630n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147175
PNG
(CHEMBL3763750)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H16N6O6S/c22-34(32,33)16-8-5-14(6-9-16)25-21(29)24-13-3-1-12(2-4-13)23-19-17-11-15(27(30)31)7-10-18(17)26-20(19)28/h1-11H,(H2,22,32,33)(H,23,26,28)(H2,24,25,29)
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0.640n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50095119
PNG
(CHEMBL3589200)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
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0.670n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147166
PNG
(CHEMBL3763581)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H15FN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
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0.690n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147169
PNG
(CHEMBL3765409)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)
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0.690n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147164
PNG
(CHEMBL3764707)
Show SMILES Nc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,14H2,(H2,15,19,20)(H2,16,17,18)
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0.710n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147188
PNG
(CHEMBL3764056)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1
Show InChI InChI=1S/C22H19N5O4S/c1-13-2-11-19-18(12-13)20(21(28)27-19)24-14-3-5-15(6-4-14)25-22(29)26-16-7-9-17(10-8-16)32(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
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1.20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147189
PNG
(CHEMBL3764810)
Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1
Show InChI InChI=1S/C22H19N5O5S/c1-32-16-8-11-19-18(12-16)20(21(28)27-19)24-13-2-4-14(5-3-13)25-22(29)26-15-6-9-17(10-7-15)33(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
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1.60n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147165
PNG
(CHEMBL3765561)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H16N4O4S/c22-30(28,29)16-11-9-15(10-12-16)24-20(26)13-5-7-14(8-6-13)23-19-17-3-1-2-4-18(17)25-21(19)27/h1-12H,(H,24,26)(H2,22,28,29)(H,23,25,27)
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1.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


(Homo sapiens (human))
BDBM50147174
PNG
(CHEMBL3765128)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C21H16BrN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
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2.30n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


(Homo sapiens (human))
BDBM50147172
PNG
(CHEMBL3589744)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H17N5O4S/c22-31(29,30)16-11-9-15(10-12-16)25-21(28)24-14-7-5-13(6-8-14)23-19-17-3-1-2-4-18(17)26-20(19)27/h1-12H,(H2,22,29,30)(H,23,26,27)(H2,24,25,28)
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2.30n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


(Homo sapiens (human))
BDBM50147163
PNG
(CHEMBL3765191)
Show SMILES Nc1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H13N3O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,14H2,(H,16,17)(H2,15,18,19)
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2.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


(Homo sapiens (human))
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
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2.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147173
PNG
(CHEMBL3589808)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H16FN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
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2.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


(Homo sapiens (human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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4.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


(Homo sapiens (human))
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
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4.90n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147166
PNG
(CHEMBL3763581)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C21H15FN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)
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5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.80n/an/an/an/an/an/an/an/a



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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


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



Jazan University

Curated by ChEMBL


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


Bioorg Med Chem 23: 4989-99 (2015)


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