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PubMed code 19398204

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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10n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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58n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50258759
PNG
(6,7-Dimethoxy-1-(4'-nitrophenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(cc3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-12-7-8-19(27(18,23)24)17(14(12)10-16(15)26-2)11-3-5-13(6-4-11)20(21)22/h3-6,9-10,17H,7-8H2,1-2H3,(H2,18,23,24)
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210n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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250n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50258759
PNG
(6,7-Dimethoxy-1-(4'-nitrophenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(cc3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-12-7-8-19(27(18,23)24)17(14(12)10-16(15)26-2)11-3-5-13(6-4-11)20(21)22/h3-6,9-10,17H,7-8H2,1-2H3,(H2,18,23,24)
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330n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50258759
PNG
(6,7-Dimethoxy-1-(4'-nitrophenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(cc3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-12-7-8-19(27(18,23)24)17(14(12)10-16(15)26-2)11-3-5-13(6-4-11)20(21)22/h3-6,9-10,17H,7-8H2,1-2H3,(H2,18,23,24)
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480n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50258759
PNG
(6,7-Dimethoxy-1-(4'-nitrophenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(cc3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-12-7-8-19(27(18,23)24)17(14(12)10-16(15)26-2)11-3-5-13(6-4-11)20(21)22/h3-6,9-10,17H,7-8H2,1-2H3,(H2,18,23,24)
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600n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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1.46E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50258730
PNG
(1-(4'-Cyanophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(cc3)C#N)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O4S/c1-24-16-9-14-7-8-21(26(20,22)23)18(15(14)10-17(16)25-2)13-5-3-12(11-19)4-6-13/h3-6,9-10,18H,7-8H2,1-2H3,(H2,20,22,23)
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3.04E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50258761
PNG
(1-(4'-Aminophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(N)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8,18H2,1-2H3,(H2,19,21,22)
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3.07E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50258732
PNG
(6,7-Dimethoxy1-(4'-methylphenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(C)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C18H22N2O4S/c1-12-4-6-13(7-5-12)18-15-11-17(24-3)16(23-2)10-14(15)8-9-20(18)25(19,21)22/h4-7,10-11,18H,8-9H2,1-3H3,(H2,19,21,22)
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3.49E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50258733
PNG
(6,7-Dimethoxy-1-(3'-nitrophenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3cccc(c3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-11-6-7-19(27(18,23)24)17(14(11)10-16(15)26-2)12-4-3-5-13(8-12)20(21)22/h3-5,8-10,17H,6-7H2,1-2H3,(H2,18,23,24)
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3.82E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50258760
PNG
(1-(3'-Aminophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3cccc(N)c3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-23-15-9-11-6-7-20(25(19,21)22)17(14(11)10-16(15)24-2)12-4-3-5-13(18)8-12/h3-5,8-10,17H,6-7,18H2,1-2H3,(H2,19,21,22)
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3.83E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50258704
PNG
(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1...)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O4S/c1-22-15-10-13-8-9-19(24(18,20)21)17(12-6-4-3-5-7-12)14(13)11-16(15)23-2/h3-7,10-11,17H,8-9H2,1-2H3,(H2,18,20,21)
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3.86E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50258730
PNG
(1-(4'-Cyanophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(cc3)C#N)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O4S/c1-24-16-9-14-7-8-21(26(20,22)23)18(15(14)10-17(16)25-2)13-5-3-12(11-19)4-6-13/h3-6,9-10,18H,7-8H2,1-2H3,(H2,20,22,23)
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4.07E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50258730
PNG
(1-(4'-Cyanophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(cc3)C#N)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O4S/c1-24-16-9-14-7-8-21(26(20,22)23)18(15(14)10-17(16)25-2)13-5-3-12(11-19)4-6-13/h3-6,9-10,18H,7-8H2,1-2H3,(H2,20,22,23)
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4.24E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50258731
PNG
(6,7-Dimethoxy-1-(4'-fluorophenyl)-3,4-dihydroisoqu...)
Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19FN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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4.43E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50258730
PNG
(1-(4'-Cyanophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(cc3)C#N)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C18H19N3O4S/c1-24-16-9-14-7-8-21(26(20,22)23)18(15(14)10-17(16)25-2)13-5-3-12(11-19)4-6-13/h3-6,9-10,18H,7-8H2,1-2H3,(H2,20,22,23)
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4.98E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50258729
PNG
(1-(4'-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoqu...)
Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19ClN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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5.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50258733
PNG
(6,7-Dimethoxy-1-(3'-nitrophenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3cccc(c3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-11-6-7-19(27(18,23)24)17(14(11)10-16(15)26-2)12-4-3-5-13(8-12)20(21)22/h3-5,8-10,17H,6-7H2,1-2H3,(H2,18,23,24)
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5.35E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50258731
PNG
(6,7-Dimethoxy-1-(4'-fluorophenyl)-3,4-dihydroisoqu...)
Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19FN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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5.59E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50258733
PNG
(6,7-Dimethoxy-1-(3'-nitrophenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3cccc(c3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-11-6-7-19(27(18,23)24)17(14(11)10-16(15)26-2)12-4-3-5-13(8-12)20(21)22/h3-5,8-10,17H,6-7H2,1-2H3,(H2,18,23,24)
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6.45E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50258760
PNG
(1-(3'-Aminophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3cccc(N)c3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-23-15-9-11-6-7-20(25(19,21)22)17(14(11)10-16(15)24-2)12-4-3-5-13(18)8-12/h3-5,8-10,17H,6-7,18H2,1-2H3,(H2,19,21,22)
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6.67E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50258732
PNG
(6,7-Dimethoxy1-(4'-methylphenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(C)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C18H22N2O4S/c1-12-4-6-13(7-5-12)18-15-11-17(24-3)16(23-2)10-14(15)8-9-20(18)25(19,21)22/h4-7,10-11,18H,8-9H2,1-3H3,(H2,19,21,22)
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6.75E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50258761
PNG
(1-(4'-Aminophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(N)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8,18H2,1-2H3,(H2,19,21,22)
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6.78E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50258731
PNG
(6,7-Dimethoxy-1-(4'-fluorophenyl)-3,4-dihydroisoqu...)
Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19FN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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6.93E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50258705
PNG
(1-(4'-Bromophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19BrN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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7.02E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50258732
PNG
(6,7-Dimethoxy1-(4'-methylphenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(C)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C18H22N2O4S/c1-12-4-6-13(7-5-12)18-15-11-17(24-3)16(23-2)10-14(15)8-9-20(18)25(19,21)22/h4-7,10-11,18H,8-9H2,1-3H3,(H2,19,21,22)
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7.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50258729
PNG
(1-(4'-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoqu...)
Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19ClN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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7.54E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50258733
PNG
(6,7-Dimethoxy-1-(3'-nitrophenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3cccc(c3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-11-6-7-19(27(18,23)24)17(14(11)10-16(15)26-2)12-4-3-5-13(8-12)20(21)22/h3-5,8-10,17H,6-7H2,1-2H3,(H2,18,23,24)
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7.69E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50258761
PNG
(1-(4'-Aminophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(N)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8,18H2,1-2H3,(H2,19,21,22)
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8.07E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50258760
PNG
(1-(3'-Aminophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3cccc(N)c3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-23-15-9-11-6-7-20(25(19,21)22)17(14(11)10-16(15)24-2)12-4-3-5-13(18)8-12/h3-5,8-10,17H,6-7,18H2,1-2H3,(H2,19,21,22)
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8.13E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50258705
PNG
(1-(4'-Bromophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19BrN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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8.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50258704
PNG
(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1...)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O4S/c1-22-15-10-13-8-9-19(24(18,20)21)17(12-6-4-3-5-7-12)14(13)11-16(15)23-2/h3-7,10-11,17H,8-9H2,1-2H3,(H2,18,20,21)
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8.44E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50258704
PNG
(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1...)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O4S/c1-22-15-10-13-8-9-19(24(18,20)21)17(12-6-4-3-5-7-12)14(13)11-16(15)23-2/h3-7,10-11,17H,8-9H2,1-2H3,(H2,18,20,21)
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8.98E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50258729
PNG
(1-(4'-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoqu...)
Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19ClN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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8.98E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50258760
PNG
(1-(3'-Aminophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3cccc(N)c3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-23-15-9-11-6-7-20(25(19,21)22)17(14(11)10-16(15)24-2)12-4-3-5-13(18)8-12/h3-5,8-10,17H,6-7,18H2,1-2H3,(H2,19,21,22)
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9.31E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50258729
PNG
(1-(4'-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoqu...)
Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19ClN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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9.44E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50258705
PNG
(1-(4'-Bromophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19BrN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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1.07E+4n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50258732
PNG
(6,7-Dimethoxy1-(4'-methylphenyl)-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(C)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C18H22N2O4S/c1-12-4-6-13(7-5-12)18-15-11-17(24-3)16(23-2)10-14(15)8-9-20(18)25(19,21)22/h4-7,10-11,18H,8-9H2,1-3H3,(H2,19,21,22)
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1.08E+4n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50258761
PNG
(1-(4'-Aminophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(N)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H21N3O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8,18H2,1-2H3,(H2,19,21,22)
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1.13E+4n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50258731
PNG
(6,7-Dimethoxy-1-(4'-fluorophenyl)-3,4-dihydroisoqu...)
Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19FN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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1.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50258704
PNG
(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1...)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O4S/c1-22-15-10-13-8-9-19(24(18,20)21)17(12-6-4-3-5-7-12)14(13)11-16(15)23-2/h3-7,10-11,17H,8-9H2,1-2H3,(H2,18,20,21)
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1.57E+4n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


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


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50258705
PNG
(1-(4'-Bromophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...)
Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)S(N)(=O)=O
Show InChI InChI=1S/C17H19BrN2O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8H2,1-2H3,(H2,19,21,22)
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2.57E+4n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem 17: 3659-64 (2009)


Article DOI: 10.1016/j.bmc.2009.03.066
BindingDB Entry DOI: 10.7270/Q21R6RFQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%