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Compile Data Set for Download or QSAR

Found 561 hits from Cairo University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50176610
PNG
(CHEMBL3808876)
Show SMILES NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(cc3)S(N)(=O)=O)n2)cc1
Show InChI InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24)
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0.410n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50176458
PNG
(CHEMBL3809959)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)N2CCCCC2)cc1
Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20)
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0.470n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50176697
PNG
(CHEMBL3809123)
Show SMILES NC(N)=NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C16H16N8O5S3/c17-15(18)24-32(28,29)12-7-3-10(4-8-12)22-23-14-13(25)21-16(30-14)20-9-1-5-11(6-2-9)31(19,26)27/h1-8,22H,(H4,17,18,24)(H2,19,26,27)(H,20,21,25)/b23-14-
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0.530n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50176459
PNG
(CHEMBL3809207)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1
Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22)
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0.580n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50176460
PNG
(CHEMBL3808746)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)cs2)cc1
Show InChI InChI=1S/C16H14N4O4S2/c17-26(23,24)13-7-5-12(6-8-13)19-16-20-14(9-25-16)18-11-3-1-10(2-4-11)15(21)22/h1-9,18H,(H,19,20)(H,21,22)(H2,17,23,24)
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0.620n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50176458
PNG
(CHEMBL3809959)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)N2CCCCC2)cc1
Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20)
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0.840n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50176697
PNG
(CHEMBL3809123)
Show SMILES NC(N)=NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C16H16N8O5S3/c17-15(18)24-32(28,29)12-7-3-10(4-8-12)22-23-14-13(25)21-16(30-14)20-9-1-5-11(6-2-9)31(19,26)27/h1-8,22H,(H4,17,18,24)(H2,19,26,27)(H,20,21,25)/b23-14-
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0.850n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50216040
PNG
(3-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)quin...)
Show SMILES COc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C23H28N4O2/c1-29-22-11-5-4-10-21(22)26-16-14-25(15-17-26)12-6-7-13-27-18-24-20-9-3-2-8-19(20)23(27)28/h2-5,8-11,18H,6-7,12-17H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Antagonist activity at human Dopamine receptor D2 isoform long expressed in HEK293 cells assessed as change in quinpirole-induced intracellular calci...


Bioorg Med Chem 15: 5811-8 (2007)


Article DOI: 10.1016/j.bmc.2007.06.002
BindingDB Entry DOI: 10.7270/Q27M07MZ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50176459
PNG
(CHEMBL3809207)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1
Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22)
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3.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50176758
PNG
(CHEMBL3809527)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-9-1-3-11(4-2-9)20-21-14-13(22)19-15(25-14)18-10-5-7-12(8-6-10)26(17,23)24/h1-8,20H,(H2,17,23,24)(H,18,19,22)/b21-14-
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4.10n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50216045
PNG
(2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-1,2...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H25N3O3S/c25-21-19-10-4-5-11-20(19)28(26,27)24(21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2
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4.10n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Antagonist activity at human Dopamine receptor D2 isoform long expressed in HEK293 cells assessed as change in quinpirole-induced intracellular calci...


Bioorg Med Chem 15: 5811-8 (2007)


Article DOI: 10.1016/j.bmc.2007.06.002
BindingDB Entry DOI: 10.7270/Q27M07MZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50176724
PNG
(CHEMBL3809540)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H13N5O5S2/c17-28(25,26)12-7-5-10(6-8-12)18-16-19-13(22)14(27-16)21-20-11-3-1-9(2-4-11)15(23)24/h1-8,20H,(H,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
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4.40n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50080151
PNG
(CHEMBL3040927)
Show SMILES NS(=O)(=O)c1ccc(NCc2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H14N2O4S/c17-23(20,21)13-7-5-12(6-8-13)18-9-11-10-22-15-4-2-1-3-14(15)16(11)19/h1-8,10,18H,9H2,(H2,17,20,21)
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4.5n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50080145
PNG
(CHEMBL3416241)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccccc1
Show InChI InChI=1S/C25H17N3O5S/c26-34(31,32)19-12-10-18(11-13-19)28-24(16-6-2-1-3-7-16)27-21(25(28)30)14-17-15-33-22-9-5-4-8-20(22)23(17)29/h1-15H,(H2,26,31,32)/b21-14-
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5.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50176361
PNG
(CHEMBL3809698)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C15H14N6O5S3/c16-28(23,24)11-5-1-9(2-6-11)18-15-19-13(22)14(27-15)21-20-10-3-7-12(8-4-10)29(17,25)26/h1-8,20H,(H2,16,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
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5.5n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50176459
PNG
(CHEMBL3809207)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1
Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22)
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5.60n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
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



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50176361
PNG
(CHEMBL3809698)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C15H14N6O5S3/c16-28(23,24)11-5-1-9(2-6-11)18-15-19-13(22)14(27-15)21-20-10-3-7-12(8-4-10)29(17,25)26/h1-8,20H,(H2,16,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
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5.80n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50216046
PNG
(2-(4-(4-phenyl-1-piperazinyl)butyl)-1,2-benzisothi...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C22H27N3O4S/c1-29-20-10-4-3-9-19(20)24-16-14-23(15-17-24)12-6-7-13-25-22(26)18-8-2-5-11-21(18)30(25,27)28/h2-5,8-11H,6-7,12-17H2,1H3
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6.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Antagonist activity at human Dopamine receptor D2 isoform long expressed in HEK293 cells assessed as change in quinpirole-induced intracellular calci...


Bioorg Med Chem 15: 5811-8 (2007)


Article DOI: 10.1016/j.bmc.2007.06.002
BindingDB Entry DOI: 10.7270/Q27M07MZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50080147
PNG
(CHEMBL3416247)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccc(Cl)cc1
Show InChI InChI=1S/C25H16ClN3O5S/c26-17-7-5-15(6-8-17)24-28-21(13-16-14-34-22-4-2-1-3-20(22)23(16)30)25(31)29(24)18-9-11-19(12-10-18)35(27,32)33/h1-14H,(H2,27,32,33)/b21-13-
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6.20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50176361
PNG
(CHEMBL3809698)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C15H14N6O5S3/c16-28(23,24)11-5-1-9(2-6-11)18-15-19-13(22)14(27-15)21-20-10-3-7-12(8-4-10)29(17,25)26/h1-8,20H,(H2,16,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
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6.40n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50176724
PNG
(CHEMBL3809540)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H13N5O5S2/c17-28(25,26)12-7-5-10(6-8-12)18-16-19-13(22)14(27-16)21-20-11-3-1-9(2-4-11)15(23)24/h1-8,20H,(H,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
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6.40n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50176610
PNG
(CHEMBL3808876)
Show SMILES NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(cc3)S(N)(=O)=O)n2)cc1
Show InChI InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24)
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6.5n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50176456
PNG
(CHEMBL3810023)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NNc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)cs2)cc1
Show InChI InChI=1S/C20H16N8O3S2/c21-10-15-17(12-4-2-1-3-5-12)25-19(26-18(15)29)28-27-16-11-32-20(24-16)23-13-6-8-14(9-7-13)33(22,30)31/h1-9,11,27H,(H,23,24)(H2,22,30,31)(H2,25,26,28,29)
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6.5n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50176460
PNG
(CHEMBL3808746)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)cs2)cc1
Show InChI InChI=1S/C16H14N4O4S2/c17-26(23,24)13-7-5-12(6-8-13)19-16-20-14(9-25-16)18-11-3-1-10(2-4-11)15(21)22/h1-9,18H,(H,19,20)(H,21,22)(H2,17,23,24)
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6.60n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50176458
PNG
(CHEMBL3809959)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)N2CCCCC2)cc1
Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20)
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6.70n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50176456
PNG
(CHEMBL3810023)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NNc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)cs2)cc1
Show InChI InChI=1S/C20H16N8O3S2/c21-10-15-17(12-4-2-1-3-5-12)25-19(26-18(15)29)28-27-16-11-32-20(24-16)23-13-6-8-14(9-7-13)33(22,30)31/h1-9,11,27H,(H,23,24)(H2,22,30,31)(H2,25,26,28,29)
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7.10n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50176758
PNG
(CHEMBL3809527)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-9-1-3-11(4-2-9)20-21-14-13(22)19-15(25-14)18-10-5-7-12(8-6-10)26(17,23)24/h1-8,20H,(H2,17,23,24)(H,18,19,22)/b21-14-
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7.30n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50176610
PNG
(CHEMBL3808876)
Show SMILES NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(cc3)S(N)(=O)=O)n2)cc1
Show InChI InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24)
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7.30n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50176724
PNG
(CHEMBL3809540)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H13N5O5S2/c17-28(25,26)12-7-5-10(6-8-12)18-16-19-13(22)14(27-16)21-20-11-3-1-9(2-4-11)15(23)24/h1-8,20H,(H,23,24)(H2,17,25,26)(H,18,19,22)/b21-14-
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7.60n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50176758
PNG
(CHEMBL3809527)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H12ClN5O3S2/c16-9-1-3-11(4-2-9)20-21-14-13(22)19-15(25-14)18-10-5-7-12(8-6-10)26(17,23)24/h1-8,20H,(H2,17,23,24)(H,18,19,22)/b21-14-
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7.90n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50176697
PNG
(CHEMBL3809123)
Show SMILES NC(N)=NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1
Show InChI InChI=1S/C16H16N8O5S3/c17-15(18)24-32(28,29)12-7-3-10(4-8-12)22-23-14-13(25)21-16(30-14)20-9-1-5-11(6-2-9)31(19,26)27/h1-8,22H,(H4,17,18,24)(H2,19,26,27)(H,20,21,25)/b23-14-
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8.5n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50176460
PNG
(CHEMBL3808746)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)cs2)cc1
Show InChI InChI=1S/C16H14N4O4S2/c17-26(23,24)13-7-5-12(6-8-13)19-16-20-14(9-25-16)18-11-3-1-10(2-4-11)15(21)22/h1-9,18H,(H,19,20)(H,21,22)(H2,17,23,24)
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8.80n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50080146
PNG
(CHEMBL3416242)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)N2C(=O)\C(=C\c3coc4ccccc4c3=O)N=C2c2ccccc2)no1
Show InChI InChI=1S/C29H20N4O6S/c1-18-15-26(31-39-18)32-40(36,37)22-13-11-21(12-14-22)33-28(19-7-3-2-4-8-19)30-24(29(33)35)16-20-17-38-25-10-6-5-9-23(25)27(20)34/h2-17H,1H3,(H,31,32)/b24-16-
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9.70n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50080154
PNG
(CHEMBL3416235)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=C/c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C19H13N3O5S2/c20-29(25,26)13-7-5-12(6-8-13)21-19-22-18(24)16(28-19)9-11-10-27-15-4-2-1-3-14(15)17(11)23/h1-10H,(H2,20,25,26)(H,21,22,24)/b16-9+
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9.90n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50080152
PNG
(CHEMBL3416230)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NCc3coc4ccccc4c3=O)cc2)no1
Show InChI InChI=1S/C20H17N3O5S/c1-13-10-19(22-28-13)23-29(25,26)16-8-6-15(7-9-16)21-11-14-12-27-18-5-3-2-4-17(18)20(14)24/h2-10,12,21H,11H2,1H3,(H,22,23)
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11n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
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



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
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



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-2 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow ...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50080154
PNG
(CHEMBL3416235)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=C/c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C19H13N3O5S2/c20-29(25,26)13-7-5-12(6-8-13)21-19-22-18(24)16(28-19)9-11-10-27-15-4-2-1-3-14(15)17(11)23/h1-10H,(H2,20,25,26)(H,21,22,24)/b16-9+
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13n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-2 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow ...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50216044
PNG
(2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)but...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H26F3N3O/c24-23(25,26)19-7-5-8-20(16-19)28-14-12-27(13-15-28)10-3-4-11-29-17-18-6-1-2-9-21(18)22(29)30/h1-2,5-9,16H,3-4,10-15,17H2
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14n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human Dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem 15: 5811-8 (2007)


Article DOI: 10.1016/j.bmc.2007.06.002
BindingDB Entry DOI: 10.7270/Q27M07MZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50080154
PNG
(CHEMBL3416235)
Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=C/c2coc3ccccc3c2=O)cc1
Show InChI InChI=1S/C19H13N3O5S2/c20-29(25,26)13-7-5-12(6-8-13)21-19-22-18(24)16(28-19)9-11-10-27-15-4-2-1-3-14(15)17(11)23/h1-10H,(H2,20,25,26)(H,21,22,24)/b16-9+
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14n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50080147
PNG
(CHEMBL3416247)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccc(Cl)cc1
Show InChI InChI=1S/C25H16ClN3O5S/c26-17-7-5-15(6-8-17)24-28-21(13-16-14-34-22-4-2-1-3-20(22)23(16)30)25(31)29(24)18-9-11-19(12-10-18)35(27,32)33/h1-14H,(H2,27,32,33)/b21-13-
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18n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50080150
PNG
(CHEMBL3416229)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C21H19N3O5S2/c1-2-28-20-17(19(25)16-5-3-4-6-18(16)29-20)13-23-14-7-9-15(10-8-14)31(26,27)24-21-22-11-12-30-21/h3-13,20,23H,2H2,1H3,(H,22,24)/b17-13-
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20n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50437929
PNG
(CHEMBL2408560)
Show SMILES CCOC1Oc2ccccc2C(=O)C1=CNc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C23H21N3O5S/c1-2-30-23-19(22(27)18-7-3-4-8-20(18)31-23)15-25-16-10-12-17(13-11-16)32(28,29)26-21-9-5-6-14-24-21/h3-15,23,25H,2H2,1H3,(H,24,26)
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21n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50080150
PNG
(CHEMBL3416229)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C21H19N3O5S2/c1-2-28-20-17(19(25)16-5-3-4-6-18(16)29-20)13-23-14-7-9-15(10-8-14)31(26,27)24-21-22-11-12-30-21/h3-13,20,23H,2H2,1H3,(H,22,24)/b17-13-
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23n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50080145
PNG
(CHEMBL3416241)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2coc3ccccc3c2=O)N=C1c1ccccc1
Show InChI InChI=1S/C25H17N3O5S/c26-34(31,32)19-12-10-18(11-13-19)28-24(16-6-2-1-3-7-16)27-21(25(28)30)14-17-15-33-22-9-5-4-8-20(22)23(17)29/h1-15H,(H2,26,31,32)/b21-14-
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23n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50080148
PNG
(CHEMBL3416226)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
Show InChI InChI=1S/C22H21N3O6S/c1-3-29-22-18(21(26)17-6-4-5-7-19(17)30-22)13-23-15-8-10-16(11-9-15)32(27,28)25-20-12-14(2)31-24-20/h4-13,22-23H,3H2,1-2H3,(H,24,25)/b18-13-
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24n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50080155
PNG
(CHEMBL3416237)
Show SMILES O=C1N=C(Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)S\C1=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C23H15N5O5S2/c29-20-14(13-33-18-5-2-1-4-17(18)20)12-19-21(30)27-23(34-19)26-15-6-8-16(9-7-15)35(31,32)28-22-24-10-3-11-25-22/h1-13H,(H,24,25,28)(H,26,27,30)/b19-12+
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25n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50080146
PNG
(CHEMBL3416242)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)N2C(=O)\C(=C\c3coc4ccccc4c3=O)N=C2c2ccccc2)no1
Show InChI InChI=1S/C29H20N4O6S/c1-18-15-26(31-39-18)32-40(36,37)22-13-11-21(12-14-22)33-28(19-7-3-2-4-8-19)30-24(29(33)35)16-20-17-38-25-10-6-5-9-23(25)27(20)34/h2-17H,1H3,(H,31,32)/b24-16-
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25n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair
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