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PubMed code 26408817

Compile data set for download or QSAR
Found 69 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 9


(Homo sapiens (human))
BDBM50130745
PNG
(CHEMBL3633555)
Show SMILES Cc1ccc2NC(=O)\C(=N/c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C15H13N3O3S/c1-9-5-6-13-12(7-9)14(15(19)18-13)17-10-3-2-4-11(8-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H,17,18,19)
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1.10n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130740
PNG
(CHEMBL3633550)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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2.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130739
PNG
(CHEMBL3633549)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27)
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2.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130739
PNG
(CHEMBL3633549)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27)
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2.90n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130741
PNG
(CHEMBL3633551)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C18H14BrN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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3.20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130736
PNG
(CHEMBL3633386)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3-c3ccccc3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O5S/c1-36-17-9-12-21-19(13-17)22(25(33)28-21)29-30-24(32)20-14-27-31(23(20)15-5-3-2-4-6-15)16-7-10-18(11-8-16)37(26,34)35/h2-14H,1H3,(H,30,32)(H2,26,34,35)(H,28,29,33)
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3.30n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130736
PNG
(CHEMBL3633386)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3-c3ccccc3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O5S/c1-36-17-9-12-21-19(13-17)22(25(33)28-21)29-30-24(32)20-14-27-31(23(20)15-5-3-2-4-6-15)16-7-10-18(11-8-16)37(26,34)35/h2-14H,1H3,(H,30,32)(H2,26,34,35)(H,28,29,33)
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3.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130742
PNG
(CHEMBL3633552)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28)
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3.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130737
PNG
(CHEMBL3633547)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C24H17N7O6S/c25-38(36,37)17-9-6-15(7-10-17)30-22(14-4-2-1-3-5-14)19(13-26-30)23(32)29-28-21-18-12-16(31(34)35)8-11-20(18)27-24(21)33/h1-13H,(H,29,32)(H2,25,36,37)(H,27,28,33)
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3.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130740
PNG
(CHEMBL3633550)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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3.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130751
PNG
(CHEMBL3633383)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccccc23)c1-c1ccccc1
Show InChI InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-22(15-6-2-1-3-7-15)19(14-26-30)23(31)29-28-21-18-8-4-5-9-20(18)27-24(21)32/h1-14H,(H,29,31)(H2,25,33,34)(H,27,28,32)
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4.30n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130742
PNG
(CHEMBL3633552)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28)
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4.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130752
PNG
(CHEMBL3633384)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Cl)cc23)c1-c1ccccc1
Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33)
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4.60n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130750
PNG
(CHEMBL3633382)
Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=O)c3cc(-c4ccccc4)n(n3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O4S/c1-15-7-12-20-19(13-15)23(25(33)27-20)28-29-24(32)21-14-22(16-5-3-2-4-6-16)31(30-21)17-8-10-18(11-9-17)36(26,34)35/h2-14H,1H3,(H,29,32)(H2,26,34,35)(H,27,28,33)
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4.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130741
PNG
(CHEMBL3633551)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C18H14BrN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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5.20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130743
PNG
(CHEMBL3633553)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C18H14N8O6S/c19-16-13(8-21-25(16)9-1-4-11(5-2-9)33(20,31)32)17(27)24-23-15-12-7-10(26(29)30)3-6-14(12)22-18(15)28/h1-8H,19H2,(H,24,27)(H2,20,31,32)(H,22,23,28)
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5.40n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130746
PNG
(CHEMBL3633385)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Br)cc23)c1-c1ccccc1
Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33)
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5.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
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 human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130739
PNG
(CHEMBL3633549)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27)
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5.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130750
PNG
(CHEMBL3633382)
Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=O)c3cc(-c4ccccc4)n(n3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O4S/c1-15-7-12-20-19(13-15)23(25(33)27-20)28-29-24(32)21-14-22(16-5-3-2-4-6-16)31(30-21)17-8-10-18(11-9-17)36(26,34)35/h2-14H,1H3,(H,29,32)(H2,26,34,35)(H,27,28,33)
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5.90n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130749
PNG
(CHEMBL3633381)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)
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6.40n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130738
PNG
(CHEMBL3633548)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)c1-c1ccccc1
Show InChI InChI=1S/C31H24N6O4S/c32-42(40,41)24-17-15-23(16-18-24)37-29(22-11-5-2-6-12-22)26(19-33-37)30(38)35-34-28-25-13-7-8-14-27(25)36(31(28)39)20-21-9-3-1-4-10-21/h1-19H,20H2,(H,35,38)(H2,32,40,41)/b34-28-
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6.5n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130746
PNG
(CHEMBL3633385)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Br)cc23)c1-c1ccccc1
Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33)
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6.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130742
PNG
(CHEMBL3633552)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28)
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7.10n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130740
PNG
(CHEMBL3633550)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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7.10n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130744
PNG
(CHEMBL3633554)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21N7O4S/c26-23-20(14-28-32(23)17-10-12-18(13-11-17)37(27,35)36)24(33)30-29-22-19-8-4-5-9-21(19)31(25(22)34)15-16-6-2-1-3-7-16/h1-14H,15,26H2,(H,30,33)(H2,27,35,36)/b29-22-
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7.20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130743
PNG
(CHEMBL3633553)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C18H14N8O6S/c19-16-13(8-21-25(16)9-1-4-11(5-2-9)33(20,31)32)17(27)24-23-15-12-7-10(26(29)30)3-6-14(12)22-18(15)28/h1-8H,19H2,(H,24,27)(H2,20,31,32)(H,22,23,28)
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7.40n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130748
PNG
(CHEMBL3633380)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)
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7.40n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130736
PNG
(CHEMBL3633386)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3-c3ccccc3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O5S/c1-36-17-9-12-21-19(13-17)22(25(33)28-21)29-30-24(32)20-14-27-31(23(20)15-5-3-2-4-6-15)16-7-10-18(11-8-16)37(26,34)35/h2-14H,1H3,(H,30,32)(H2,26,34,35)(H,28,29,33)
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7.60n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130746
PNG
(CHEMBL3633385)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Br)cc23)c1-c1ccccc1
Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33)
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7.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130747
PNG
(CHEMBL3633379)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-21(15-6-2-1-3-7-15)14-20(29-30)23(31)28-27-22-18-8-4-5-9-19(18)26-24(22)32/h1-14H,(H,28,31)(H2,25,33,34)(H,26,27,32)
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8.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130749
PNG
(CHEMBL3633381)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)
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9n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130741
PNG
(CHEMBL3633551)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C18H14BrN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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9.40n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130752
PNG
(CHEMBL3633384)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Cl)cc23)c1-c1ccccc1
Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33)
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9.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130751
PNG
(CHEMBL3633383)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccccc23)c1-c1ccccc1
Show InChI InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-22(15-6-2-1-3-7-15)19(14-26-30)23(31)29-28-21-18-8-4-5-9-20(18)27-24(21)32/h1-14H,(H,29,31)(H2,25,33,34)(H,27,28,32)
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9.70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130748
PNG
(CHEMBL3633380)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)
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9.90n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130747
PNG
(CHEMBL3633379)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-21(15-6-2-1-3-7-15)14-20(29-30)23(31)28-27-22-18-8-4-5-9-19(18)26-24(22)32/h1-14H,(H,28,31)(H2,25,33,34)(H,26,27,32)
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12n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130738
PNG
(CHEMBL3633548)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)c1-c1ccccc1
Show InChI InChI=1S/C31H24N6O4S/c32-42(40,41)24-17-15-23(16-18-24)37-29(22-11-5-2-6-12-22)26(19-33-37)30(38)35-34-28-25-13-7-8-14-27(25)36(31(28)39)20-21-9-3-1-4-10-21/h1-19H,20H2,(H,35,38)(H2,32,40,41)/b34-28-
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14n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130744
PNG
(CHEMBL3633554)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21N7O4S/c26-23-20(14-28-32(23)17-10-12-18(13-11-17)37(27,35)36)24(33)30-29-22-19-8-4-5-9-21(19)31(25(22)34)15-16-6-2-1-3-7-16/h1-14H,15,26H2,(H,30,33)(H2,27,35,36)/b29-22-
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15n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130737
PNG
(CHEMBL3633547)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C24H17N7O6S/c25-38(36,37)17-9-6-15(7-10-17)30-22(14-4-2-1-3-5-14)19(13-26-30)23(32)29-28-21-18-12-16(31(34)35)8-11-20(18)27-24(21)33/h1-13H,(H,29,32)(H2,25,36,37)(H,27,28,33)
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16n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130738
PNG
(CHEMBL3633548)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)c1-c1ccccc1
Show InChI InChI=1S/C31H24N6O4S/c32-42(40,41)24-17-15-23(16-18-24)37-29(22-11-5-2-6-12-22)26(19-33-37)30(38)35-34-28-25-13-7-8-14-27(25)36(31(28)39)20-21-9-3-1-4-10-21/h1-19H,20H2,(H,35,38)(H2,32,40,41)/b34-28-
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18n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130744
PNG
(CHEMBL3633554)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21N7O4S/c26-23-20(14-28-32(23)17-10-12-18(13-11-17)37(27,35)36)24(33)30-29-22-19-8-4-5-9-21(19)31(25(22)34)15-16-6-2-1-3-7-16/h1-14H,15,26H2,(H,30,33)(H2,27,35,36)/b29-22-
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20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130749
PNG
(CHEMBL3633381)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)
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20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130744
PNG
(CHEMBL3633554)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21N7O4S/c26-23-20(14-28-32(23)17-10-12-18(13-11-17)37(27,35)36)24(33)30-29-22-19-8-4-5-9-21(19)31(25(22)34)15-16-6-2-1-3-7-16/h1-14H,15,26H2,(H,30,33)(H2,27,35,36)/b29-22-
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20n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130743
PNG
(CHEMBL3633553)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C18H14N8O6S/c19-16-13(8-21-25(16)9-1-4-11(5-2-9)33(20,31)32)17(27)24-23-15-12-7-10(26(29)30)3-6-14(12)22-18(15)28/h1-8H,19H2,(H,24,27)(H2,20,31,32)(H,22,23,28)
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23n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130740
PNG
(CHEMBL3633550)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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23n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50130737
PNG
(CHEMBL3633547)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C24H17N7O6S/c25-38(36,37)17-9-6-15(7-10-17)30-22(14-4-2-1-3-5-14)19(13-26-30)23(32)29-28-21-18-12-16(31(34)35)8-11-20(18)27-24(21)33/h1-13H,(H,29,32)(H2,25,36,37)(H,27,28,33)
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31n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130752
PNG
(CHEMBL3633384)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Cl)cc23)c1-c1ccccc1
Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33)
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38n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130739
PNG
(CHEMBL3633549)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27)
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38n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130752
PNG
(CHEMBL3633384)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Cl)cc23)c1-c1ccccc1
Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33)
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45n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130737
PNG
(CHEMBL3633547)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)c1-c1ccccc1
Show InChI InChI=1S/C24H17N7O6S/c25-38(36,37)17-9-6-15(7-10-17)30-22(14-4-2-1-3-5-14)19(13-26-30)23(32)29-28-21-18-12-16(31(34)35)8-11-20(18)27-24(21)33/h1-13H,(H,29,32)(H2,25,36,37)(H,27,28,33)
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50n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130750
PNG
(CHEMBL3633382)
Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=O)c3cc(-c4ccccc4)n(n3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O4S/c1-15-7-12-20-19(13-15)23(25(33)27-20)28-29-24(32)21-14-22(16-5-3-2-4-6-16)31(30-21)17-8-10-18(11-9-17)36(26,34)35/h2-14H,1H3,(H,29,32)(H2,26,34,35)(H,27,28,33)
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52n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50130751
PNG
(CHEMBL3633383)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccccc23)c1-c1ccccc1
Show InChI InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-22(15-6-2-1-3-7-15)19(14-26-30)23(31)29-28-21-18-8-4-5-9-20(18)27-24(21)32/h1-14H,(H,29,31)(H2,25,33,34)(H,27,28,32)
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53n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130747
PNG
(CHEMBL3633379)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-21(15-6-2-1-3-7-15)14-20(29-30)23(31)28-27-22-18-8-4-5-9-19(18)26-24(22)32/h1-14H,(H,28,31)(H2,25,33,34)(H,26,27,32)
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54n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130741
PNG
(CHEMBL3633551)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C18H14BrN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28)
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57n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130738
PNG
(CHEMBL3633548)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)c1-c1ccccc1
Show InChI InChI=1S/C31H24N6O4S/c32-42(40,41)24-17-15-23(16-18-24)37-29(22-11-5-2-6-12-22)26(19-33-37)30(38)35-34-28-25-13-7-8-14-27(25)36(31(28)39)20-21-9-3-1-4-10-21/h1-19H,20H2,(H,35,38)(H2,32,40,41)/b34-28-
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62n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130748
PNG
(CHEMBL3633380)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)
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66n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130743
PNG
(CHEMBL3633553)
Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C18H14N8O6S/c19-16-13(8-21-25(16)9-1-4-11(5-2-9)33(20,31)32)17(27)24-23-15-12-7-10(26(29)30)3-6-14(12)22-18(15)28/h1-8H,19H2,(H,24,27)(H2,20,31,32)(H,22,23,28)
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70n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130751
PNG
(CHEMBL3633383)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccccc23)c1-c1ccccc1
Show InChI InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-22(15-6-2-1-3-7-15)19(14-26-30)23(31)29-28-21-18-8-4-5-9-20(18)27-24(21)32/h1-14H,(H,29,31)(H2,25,33,34)(H,27,28,32)
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74n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130736
PNG
(CHEMBL3633386)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3-c3ccccc3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O5S/c1-36-17-9-12-21-19(13-17)22(25(33)28-21)29-30-24(32)20-14-27-31(23(20)15-5-3-2-4-6-15)16-7-10-18(11-8-16)37(26,34)35/h2-14H,1H3,(H,30,32)(H2,26,34,35)(H,28,29,33)
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75n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130742
PNG
(CHEMBL3633552)
Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28)
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83n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130749
PNG
(CHEMBL3633381)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)
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84n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130746
PNG
(CHEMBL3633385)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Br)cc23)c1-c1ccccc1
Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33)
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91n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130747
PNG
(CHEMBL3633379)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-21(15-6-2-1-3-7-15)14-20(29-30)23(31)28-27-22-18-8-4-5-9-19(18)26-24(22)32/h1-14H,(H,28,31)(H2,25,33,34)(H,26,27,32)
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92n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50130748
PNG
(CHEMBL3633380)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)
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102n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50130750
PNG
(CHEMBL3633382)
Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=O)c3cc(-c4ccccc4)n(n3)-c3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H20N6O4S/c1-15-7-12-20-19(13-15)23(25(33)27-20)28-29-24(32)21-14-22(16-5-3-2-4-6-16)31(30-21)17-8-10-18(11-9-17)36(26,34)35/h2-14H,1H3,(H,29,32)(H2,26,34,35)(H,27,28,33)
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244n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
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



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay


Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%