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Compile Data Set for Download or QSAR

Found 20 hits from ENSCM-UMII-CNRS 5635   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299307
PNG
(2-(4-tert-butylbenzylideneamino)ethanesulfonamide ...)
Show SMILES CC(C)(C)c1ccc(\C=N\CCS(N)(=O)=O)cc1
Show InChI InChI=1S/C13H20N2O2S/c1-13(2,3)12-6-4-11(5-7-12)10-15-8-9-18(14,16)17/h4-7,10H,8-9H2,1-3H3,(H2,14,16,17)/b15-10+
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8.60n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50229543
PNG
(4-(benzylideneamino)benzenesulfonamide | 4-benzyli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1
Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)/b15-10+
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21.4n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299303
PNG
(4-((4-tert-butylbenzylideneamino)methyl)benzenesul...)
Show SMILES CC(C)(C)c1ccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C18H22N2O2S/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22/h4-12H,13H2,1-3H3,(H2,19,21,22)/b20-12+
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24n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299300
PNG
(4-(4-tert-butylbenzylideneamino)benzenesulfonamide...)
Show SMILES CC(C)(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-12H,1-3H3,(H2,18,20,21)/b19-12+
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32.4n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299302
PNG
(4-((benzylideneamino)methyl)benzenesulfonamide | C...)
Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O2S/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-10H,11H2,(H2,15,17,18)/b16-10+
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38.5n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299309
PNG
(2-(2-hydroxy-5-methoxybenzylideneamino)ethanesulfo...)
Show SMILES COc1ccc(O)c(\C=N\CCS(N)(=O)=O)c1
Show InChI InChI=1S/C10H14N2O4S/c1-16-9-2-3-10(13)8(6-9)7-12-4-5-17(11,14)15/h2-3,6-7,13H,4-5H2,1H3,(H2,11,14,15)/b12-7+
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51.5n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299304
PNG
(4-((4-hydroxybenzylideneamino)methyl)benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11/h1-9,17H,10H2,(H2,15,18,19)/b16-9+
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79.7n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299301
PNG
(4-(2-hydroxy-5-methoxybenzylideneamino)benzenesulf...)
Show SMILES COc1ccc(O)c(\C=N\c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C14H14N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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86.6n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299292
PNG
(4-(benzylideneamino)benzoic acid | CHEMBL567820)
Show SMILES OC(=O)c1ccc(cc1)\N=C\c1ccccc1
Show InChI InChI=1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b15-10+
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123n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299305
PNG
(4-((2-hydroxy-5-methoxybenzylideneamino)methyl)ben...)
Show SMILES COc1ccc(O)c(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20/h2-8,10,18H,9H2,1H3,(H2,16,19,20)/b17-10+
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131n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299298
PNG
(CHEMBL575341 | methyl 4-(4-hydroxybenzylideneamino...)
Show SMILES COC(=O)c1ccc(cc1)\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C15H13NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-10,17H,1H3/b16-10+
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142n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299295
PNG
(4-(2-hydroxy-5-methoxybenzylideneamino)benzoic aci...)
Show SMILES COc1ccc(O)c(\C=N\c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C15H13NO4/c1-20-13-6-7-14(17)11(8-13)9-16-12-4-2-10(3-5-12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+
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143n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299297
PNG
(CHEMBL572526 | methyl 4-(4-tert-butylbenzylideneam...)
Show SMILES COC(=O)c1ccc(cc1)\N=C\c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C19H21NO2/c1-19(2,3)16-9-5-14(6-10-16)13-20-17-11-7-15(8-12-17)18(21)22-4/h5-13H,1-4H3/b20-13+
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158n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299306
PNG
(2-(benzylideneamino)ethanesulfonamide | CHEMBL5743...)
Show SMILES NS(=O)(=O)CC\N=C\c1ccccc1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)7-6-11-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,10,12,13)/b11-8+
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160n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299293
PNG
(4-(4-tert-butylbenzylideneamino)benzoic acid | CHE...)
Show SMILES CC(C)(C)c1ccc(\C=N\c2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C18H19NO2/c1-18(2,3)15-8-4-13(5-9-15)12-19-16-10-6-14(7-11-16)17(20)21/h4-12H,1-3H3,(H,20,21)/b19-12+
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185n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299294
PNG
(4-(4-hydroxybenzylideneamino)benzoic acid | CHEMBL...)
Show SMILES OC(=O)c1ccc(cc1)\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C14H11NO3/c16-13-7-1-10(2-8-13)9-15-12-5-3-11(4-6-12)14(17)18/h1-9,16H,(H,17,18)/b15-9+
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201n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299308
PNG
(2-(4-hydroxybenzylideneamino)ethanesulfonamide | C...)
Show SMILES NS(=O)(=O)CC\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H12N2O3S/c10-15(13,14)6-5-11-7-8-1-3-9(12)4-2-8/h1-4,7,12H,5-6H2,(H2,10,13,14)/b11-7+
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236n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50229571
PNG
(4-(4-hydroxy-benzylideneamino)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)13-7-3-11(4-8-13)15-9-10-1-5-12(16)6-2-10/h1-9,16H,(H2,14,17,18)/b15-9+
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702n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299299
PNG
(CHEMBL575342 | methyl 4-(2-hydroxy-5-methoxybenzyl...)
Show SMILES COC(=O)c1ccc(cc1)\N=C\c1cc(OC)ccc1O
Show InChI InChI=1S/C16H15NO4/c1-20-14-7-8-15(18)12(9-14)10-17-13-5-3-11(4-6-13)16(19)21-2/h3-10,18H,1-2H3/b17-10+
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5.33E+3n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50299296
PNG
(CHEMBL574452 | methyl 4-(benzylideneamino)benzoate)
Show SMILES COC(=O)c1ccc(cc1)\N=C\c1ccccc1
Show InChI InChI=1S/C15H13NO2/c1-18-15(17)13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+
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2.22E+4n/an/an/an/an/an/an/an/a



ENSCM-UMII-CNRS 5635

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique


Bioorg Med Chem Lett 19: 6014-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.047
BindingDB Entry DOI: 10.7270/Q2FQ9WP1
More data for this
Ligand-Target Pair