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PubMed code 25912674

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (human))
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 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 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 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 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
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 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 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))
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))
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
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))
BDBM50080144
PNG
(CHEMBL3416240)
Show SMILES O=C1N=C(Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)S\C1=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C24H16N4O5S2/c29-22-15(14-33-19-6-2-1-5-18(19)22)13-20-23(30)27-24(34-20)26-16-8-10-17(11-9-16)35(31,32)28-21-7-3-4-12-25-21/h1-14H,(H,25,28)(H,26,27,30)/b20-13+
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26n/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))
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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30n/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))
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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32n/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))
BDBM50080149
PNG
(CHEMBL3416228)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1
Show InChI InChI=1S/C24H24N4O5S/c1-4-32-23-20(22(29)19-7-5-6-8-21(19)33-23)14-25-17-9-11-18(12-10-17)34(30,31)28-24-26-15(2)13-16(3)27-24/h5-14,23,25H,4H2,1-3H3,(H,26,27,28)/b20-14-
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38n/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))
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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62n/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))
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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75n/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
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50080149
PNG
(CHEMBL3416228)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1
Show InChI InChI=1S/C24H24N4O5S/c1-4-32-23-20(22(29)19-7-5-6-8-21(19)33-23)14-25-17-9-11-18(12-10-17)34(30,31)28-24-26-15(2)13-16(3)27-24/h5-14,23,25H,4H2,1-3H3,(H,26,27,28)/b20-14-
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79n/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))
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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86n/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))
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



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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))
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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370n/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
Carbonic anhydrase


(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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399n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase 12


(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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424n/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))
BDBM50080144
PNG
(CHEMBL3416240)
Show SMILES O=C1N=C(Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)S\C1=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C24H16N4O5S2/c29-22-15(14-33-19-6-2-1-5-18(19)22)13-20-23(30)27-24(34-20)26-16-8-10-17(11-9-16)35(31,32)28-21-7-3-4-12-25-21/h1-14H,(H,25,28)(H,26,27,30)/b20-13+
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547n/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))
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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722n/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
Carbonic anhydrase


(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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965n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50080144
PNG
(CHEMBL3416240)
Show SMILES O=C1N=C(Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)S\C1=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C24H16N4O5S2/c29-22-15(14-33-19-6-2-1-5-18(19)22)13-20-23(30)27-24(34-20)26-16-8-10-17(11-9-16)35(31,32)28-21-7-3-4-12-25-21/h1-14H,(H,25,28)(H,26,27,30)/b20-13+
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1.07E+3n/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
Carbonic anhydrase 2


(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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1.11E+3n/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
Carbonic anhydrase


(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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8.00E+3n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase 2


(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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>1.00E+4n/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
Carbonic anhydrase


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase 2


(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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>1.00E+4n/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
Carbonic anhydrase


(Homo sapiens (human))
BDBM50080144
PNG
(CHEMBL3416240)
Show SMILES O=C1N=C(Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)S\C1=C\c1coc2ccccc2c1=O
Show InChI InChI=1S/C24H16N4O5S2/c29-22-15(14-33-19-6-2-1-5-18(19)22)13-20-23(30)27-24(34-20)26-16-8-10-17(11-9-16)35(31,32)28-21-7-3-4-12-25-21/h1-14H,(H,25,28)(H,26,27,30)/b20-13+
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>1.00E+4n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50080149
PNG
(CHEMBL3416228)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1
Show InChI InChI=1S/C24H24N4O5S/c1-4-32-23-20(22(29)19-7-5-6-8-21(19)33-23)14-25-17-9-11-18(12-10-17)34(30,31)28-24-26-15(2)13-16(3)27-24/h5-14,23,25H,4H2,1-3H3,(H,26,27,28)/b20-14-
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>1.00E+4n/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
Carbonic anhydrase


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase


(Homo sapiens (human))
BDBM50080149
PNG
(CHEMBL3416228)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1
Show InChI InChI=1S/C24H24N4O5S/c1-4-32-23-20(22(29)19-7-5-6-8-21(19)33-23)14-25-17-9-11-18(12-10-17)34(30,31)28-24-26-15(2)13-16(3)27-24/h5-14,23,25H,4H2,1-3H3,(H,26,27,28)/b20-14-
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>1.00E+4n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase 2


(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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>1.00E+4n/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
Carbonic anhydrase


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-1 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
Carbonic anhydrase 2


(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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>1.00E+4n/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
Carbonic anhydrase 2


(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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>1.00E+4n/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
* indicates data uncertainty>20%