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PubMed code 18363349

Compile data set for download or QSAR
Found 53 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))		BDBM50376374
PNG
(CHEMBL26303)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H19NO8S/c1-6-17-7-4-15-11(5-16-21(12,13)14)9(8(7)18-6)19-10(2,3)20-11/h6-9H,4-5H2,1-3H3,(H2,12,13,14)/t6-,7-,8-,9+,11+/m1/s1
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 200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376372
PNG
(CHEMBL26590)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/m1/s1
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 350n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
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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 450n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376370
PNG
(CHEMBL410329)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/m1/s1
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 1.60E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376368
PNG
(CHEMBL26780)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C14H23NO8S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-18-14(11,23-12)8-19-24(15,16)17/h9-11H,3-8H2,1-2H3,(H2,15,16,17)/t9-,10-,11+,14+/m1/s1
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 1.60E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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 6.80E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376371
PNG
(CHEMBL264966)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C15H26N2O7S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-20-15(12,24-13)9-17-25(16,18)19/h10-12,17H,3-9H2,1-2H3,(H2,16,18,19)/t10-,11-,12+,15+/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376373
PNG
(CHEMBL260866)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C10H18N2O7S/c1-9(2)18-8-7-6(15-5-16-7)3-17-10(8,19-9)4-12-20(11,13)14/h6-8,12H,3-5H2,1-2H3,(H2,11,13,14)/t6-,7-,8+,10+/m1/s1
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 3.00E+5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376369
PNG
(CHEMBL410328)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C14H24N2O7S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-19-14(11,23-12)8-16-24(15,17)18/h9-11,16H,3-8H2,1-2H3,(H2,15,17,18)/t9-,10-,11+,14+/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376375
PNG
(CHEMBL412256)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H20N2O7S/c1-6-17-7-4-16-11(5-13-21(12,14)15)9(8(7)18-6)19-10(2,3)20-11/h6-9,13H,4-5H2,1-3H3,(H2,12,14,15)/t6-,7-,8-,9+,11+/m1/s1
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 3.00E+5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
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 3.40E+5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376370
PNG
(CHEMBL410329)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/m1/s1
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n/an/an/a 800n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 100 uM Na2SO4 at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376369
PNG
(CHEMBL410328)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C14H24N2O7S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-19-14(11,23-12)8-16-24(15,17)18/h9-11,16H,3-8H2,1-2H3,(H2,15,17,18)/t9-,10-,11+,14+/m1/s1
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n/an/an/a>5.70E+4n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 200 uM NaCl at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
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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n/an/an/a 290n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376373
PNG
(CHEMBL260866)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C10H18N2O7S/c1-9(2)18-8-7-6(15-5-16-7)3-17-10(8,19-9)4-12-20(11,13)14/h6-8,12H,3-5H2,1-2H3,(H2,11,13,14)/t6-,7-,8+,10+/m1/s1
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n/an/an/a>5.70E+4n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376372
PNG
(CHEMBL26590)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/m1/s1
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n/an/an/a 300n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES without Na+ at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376371
PNG
(CHEMBL264966)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C15H26N2O7S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-20-15(12,24-13)9-17-25(16,18)19/h10-12,17H,3-9H2,1-2H3,(H2,16,18,19)/t10-,11-,12+,15+/m1/s1
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n/an/an/a 5.00E+4n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES without Na+ at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376369
PNG
(CHEMBL410328)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C14H24N2O7S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-19-14(11,23-12)8-16-24(15,17)18/h9-11,16H,3-8H2,1-2H3,(H2,15,17,18)/t9-,10-,11+,14+/m1/s1
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n/an/an/a>5.70E+4n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376374
PNG
(CHEMBL26303)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H19NO8S/c1-6-17-7-4-15-11(5-16-21(12,13)14)9(8(7)18-6)19-10(2,3)20-11/h6-9H,4-5H2,1-3H3,(H2,12,13,14)/t6-,7-,8-,9+,11+/m1/s1
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n/an/an/a 300n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376375
PNG
(CHEMBL412256)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H20N2O7S/c1-6-17-7-4-16-11(5-13-21(12,14)15)9(8(7)18-6)19-10(2,3)20-11/h6-9,13H,4-5H2,1-3H3,(H2,12,14,15)/t6-,7-,8-,9+,11+/m1/s1
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n/an/an/a>5.70E+4n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES without Na+ at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376369
PNG
(CHEMBL410328)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C14H24N2O7S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-19-14(11,23-12)8-16-24(15,17)18/h9-11,16H,3-8H2,1-2H3,(H2,15,17,18)/t9-,10-,11+,14+/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES without Na+ at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376372
PNG
(CHEMBL26590)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/m1/s1
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n/an/an/a 300n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES without Na+ at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376368
PNG
(CHEMBL26780)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C14H23NO8S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-18-14(11,23-12)8-19-24(15,16)17/h9-11H,3-8H2,1-2H3,(H2,15,16,17)/t9-,10-,11+,14+/m1/s1
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n/an/an/a 500n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES without Na+ at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376368
PNG
(CHEMBL26780)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C14H23NO8S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-18-14(11,23-12)8-19-24(15,16)17/h9-11H,3-8H2,1-2H3,(H2,15,16,17)/t9-,10-,11+,14+/m1/s1
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n/an/an/a 500n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376375
PNG
(CHEMBL412256)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H20N2O7S/c1-6-17-7-4-16-11(5-13-21(12,14)15)9(8(7)18-6)19-10(2,3)20-11/h6-9,13H,4-5H2,1-3H3,(H2,12,14,15)/t6-,7-,8-,9+,11+/m1/s1
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n/an/an/a>5.70E+4n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 100 uM Na2SO4 at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376371
PNG
(CHEMBL264966)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C15H26N2O7S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-20-15(12,24-13)9-17-25(16,18)19/h10-12,17H,3-9H2,1-2H3,(H2,16,18,19)/t10-,11-,12+,15+/m1/s1
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n/an/an/a 5.00E+4n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 100 uM Na2SO4 at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376372
PNG
(CHEMBL26590)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/m1/s1
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n/an/an/a 700n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 200 uM NaCl at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376373
PNG
(CHEMBL260866)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C10H18N2O7S/c1-9(2)18-8-7-6(15-5-16-7)3-17-10(8,19-9)4-12-20(11,13)14/h6-8,12H,3-5H2,1-2H3,(H2,11,13,14)/t6-,7-,8+,10+/m1/s1
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n/an/an/a>5.70E+4n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES without Na+ at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376373
PNG
(CHEMBL260866)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C10H18N2O7S/c1-9(2)18-8-7-6(15-5-16-7)3-17-10(8,19-9)4-12-20(11,13)14/h6-8,12H,3-5H2,1-2H3,(H2,11,13,14)/t6-,7-,8+,10+/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES without Na+ at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376372
PNG
(CHEMBL26590)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 100 uM Na2SO4 at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376371
PNG
(CHEMBL264966)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C15H26N2O7S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-20-15(12,24-13)9-17-25(16,18)19/h10-12,17H,3-9H2,1-2H3,(H2,16,18,19)/t10-,11-,12+,15+/m1/s1
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n/an/an/a 5.00E+4n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 200 uM NaCl at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376371
PNG
(CHEMBL264966)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C15H26N2O7S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-20-15(12,24-13)9-17-25(16,18)19/h10-12,17H,3-9H2,1-2H3,(H2,16,18,19)/t10-,11-,12+,15+/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES without Na+ at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376374
PNG
(CHEMBL26303)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H19NO8S/c1-6-17-7-4-15-11(5-16-21(12,13)14)9(8(7)18-6)19-10(2,3)20-11/h6-9H,4-5H2,1-3H3,(H2,12,13,14)/t6-,7-,8-,9+,11+/m1/s1
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n/an/an/a 200n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES without Na+ at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376375
PNG
(CHEMBL412256)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H20N2O7S/c1-6-17-7-4-16-11(5-13-21(12,14)15)9(8(7)18-6)19-10(2,3)20-11/h6-9,13H,4-5H2,1-3H3,(H2,12,14,15)/t6-,7-,8-,9+,11+/m1/s1
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n/an/an/a 3.30E+4n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 200 uM NaCl at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376370
PNG
(CHEMBL410329)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376375
PNG
(CHEMBL412256)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H20N2O7S/c1-6-17-7-4-16-11(5-13-21(12,14)15)9(8(7)18-6)19-10(2,3)20-11/h6-9,13H,4-5H2,1-3H3,(H2,12,14,15)/t6-,7-,8-,9+,11+/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376369
PNG
(CHEMBL410328)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C14H24N2O7S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-19-14(11,23-12)8-16-24(15,17)18/h9-11,16H,3-8H2,1-2H3,(H2,15,17,18)/t9-,10-,11+,14+/m1/s1
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n/an/an/a>5.70E+4n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES without Na+ at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376368
PNG
(CHEMBL26780)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C14H23NO8S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-18-14(11,23-12)8-19-24(15,16)17/h9-11H,3-8H2,1-2H3,(H2,15,16,17)/t9-,10-,11+,14+/m1/s1
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n/an/an/a 700n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 100 uM Na2SO4 at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376370
PNG
(CHEMBL410329)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/m1/s1
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n/an/an/a 800n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 200 uM NaCl at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376368
PNG
(CHEMBL26780)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C14H23NO8S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-18-14(11,23-12)8-19-24(15,16)17/h9-11H,3-8H2,1-2H3,(H2,15,16,17)/t9-,10-,11+,14+/m1/s1
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n/an/an/a 400n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES without Na+ at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376373
PNG
(CHEMBL260866)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C10H18N2O7S/c1-9(2)18-8-7-6(15-5-16-7)3-17-10(8,19-9)4-12-20(11,13)14/h6-8,12H,3-5H2,1-2H3,(H2,11,13,14)/t6-,7-,8+,10+/m1/s1
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n/an/an/a>5.70E+4n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 100 uM Na2SO4 at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376370
PNG
(CHEMBL410329)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/m1/s1
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n/an/an/a 800n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES without Na+ at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376374
PNG
(CHEMBL26303)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H19NO8S/c1-6-17-7-4-15-11(5-16-21(12,13)14)9(8(7)18-6)19-10(2,3)20-11/h6-9H,4-5H2,1-3H3,(H2,12,13,14)/t6-,7-,8-,9+,11+/m1/s1
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n/an/an/a 300n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 200 uM NaCl at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376374
PNG
(CHEMBL26303)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H19NO8S/c1-6-17-7-4-15-11(5-16-21(12,13)14)9(8(7)18-6)19-10(2,3)20-11/h6-9H,4-5H2,1-3H3,(H2,12,13,14)/t6-,7-,8-,9+,11+/m1/s1
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n/an/an/a 200n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES without Na+ at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376370
PNG
(CHEMBL410329)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/m1/s1
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n/an/an/a 500n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES without Na+ at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376371
PNG
(CHEMBL264966)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C15H26N2O7S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-20-15(12,24-13)9-17-25(16,18)19/h10-12,17H,3-9H2,1-2H3,(H2,16,18,19)/t10-,11-,12+,15+/m1/s1
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n/an/an/a 5.00E+4n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376373
PNG
(CHEMBL260866)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C10H18N2O7S/c1-9(2)18-8-7-6(15-5-16-7)3-17-10(8,19-9)4-12-20(11,13)14/h6-8,12H,3-5H2,1-2H3,(H2,11,13,14)/t6-,7-,8+,10+/m1/s1
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n/an/an/a>5.70E+4n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 200 uM NaCl at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376368
PNG
(CHEMBL26780)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C14H23NO8S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-18-14(11,23-12)8-19-24(15,16)17/h9-11H,3-8H2,1-2H3,(H2,15,16,17)/t9-,10-,11+,14+/m1/s1
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n/an/an/a 700n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 200 uM NaCl at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376374
PNG
(CHEMBL26303)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H19NO8S/c1-6-17-7-4-15-11(5-16-21(12,13)14)9(8(7)18-6)19-10(2,3)20-11/h6-9H,4-5H2,1-3H3,(H2,12,13,14)/t6-,7-,8-,9+,11+/m1/s1
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n/an/an/a 300n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 100 uM Na2SO4 at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376369
PNG
(CHEMBL410328)
Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1
Show InChI InChI=1S/C14H24N2O7S/c1-12(2)22-11-10-9(20-13(21-10)5-3-4-6-13)7-19-14(11,23-12)8-16-24(15,17)18/h9-11,16H,3-8H2,1-2H3,(H2,15,17,18)/t9-,10-,11+,14+/m1/s1
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n/an/an/a>5.70E+4n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 100 uM Na2SO4 at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
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n/an/an/a 2.50E+4n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376372
PNG
(CHEMBL26590)
Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1
Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/m1/s1
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n/an/an/a 300n/an/an/a7.5n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50376375
PNG
(CHEMBL412256)
Show SMILES C[C@@H]1O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C11H20N2O7S/c1-6-17-7-4-16-11(5-13-21(12,14)15)9(8(7)18-6)19-10(2,3)20-11/h6-9,13H,4-5H2,1-3H3,(H2,12,14,15)/t6-,7-,8-,9+,11+/m1/s1
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n/an/an/a 3.30E+4n/an/an/a7.0n/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES without Na+ at pH 7.0 by ThermoFluor method

J Med Chem 51: 2518-21 (2008)


Article DOI: 10.1021/jm7015649
BindingDB Entry DOI: 10.7270/Q22R3SJN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%