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Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'sadutto' and Initial = 'd'   
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 7


(Homo sapiens (Human))
BDBM50239278
PNG
(CHEMBL4095957)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239281
PNG
(CHEMBL4100218)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)
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0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239275
PNG
(CHEMBL4073364)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
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0.210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239283
PNG
(CHEMBL4068642)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239282
PNG
(CHEMBL4099267)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1
Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
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0.280n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239277
PNG
(CHEMBL4081248)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
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0.290n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239282
PNG
(CHEMBL4099267)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1
Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
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0.330n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
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0.350n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239277
PNG
(CHEMBL4081248)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
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0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
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0.490n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239275
PNG
(CHEMBL4073364)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
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0.510n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239280
PNG
(CHEMBL4071251)
Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H23FN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30)
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0.530n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239272
PNG
(CHEMBL4098299)
Show SMILES COc1cc2CCN(C(c3ccc(Cl)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H23ClN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30)
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0.770n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28)
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0.770n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239280
PNG
(CHEMBL4071251)
Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H23FN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30)
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0.840n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28)
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1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50239275
PNG
(CHEMBL4073364)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
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2.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28)
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
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2.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28)
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3.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
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3.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50239283
PNG
(CHEMBL4068642)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50239281
PNG
(CHEMBL4100218)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)
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3.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239283
PNG
(CHEMBL4068642)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50239278
PNG
(CHEMBL4095957)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50239278
PNG
(CHEMBL4095957)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50239282
PNG
(CHEMBL4099267)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1
Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
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3.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239281
PNG
(CHEMBL4100218)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)
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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50239277
PNG
(CHEMBL4081248)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239278
PNG
(CHEMBL4095957)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239273
PNG
(CHEMBL4062013)
Show SMILES COc1cc2CCN(C(c3ccc(Br)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H23BrN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30)
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28)
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4.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50239280
PNG
(CHEMBL4071251)
Show SMILES COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H23FN2O5S/c1-31-21-13-17-11-12-27(24(28)16-5-9-19(10-6-16)33(26,29)30)23(20(17)14-22(21)32-2)15-3-7-18(25)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3,(H2,26,29,30)
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4.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50239275
PNG
(CHEMBL4073364)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)
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4.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29)
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4.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29)
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4.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29)
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4.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
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4.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50239281
PNG
(CHEMBL4100218)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29)
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4.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28)
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4.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29)
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4.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29)
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4.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
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4.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239274
PNG
(CHEMBL4079453)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50239271
PNG
(CHEMBL4069601)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H24N2O5S/c1-30-21-14-18-12-13-26(24(27)17-8-10-19(11-9-17)32(25,28)29)23(16-6-4-3-5-7-16)20(18)15-22(21)31-2/h3-11,14-15,23H,12-13H2,1-2H3,(H2,25,28,29)
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50239279
PNG
(CHEMBL4070634)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O4S/c1-29-19-9-12-21-18(15-19)13-14-25(22(21)16-5-3-2-4-6-16)23(26)17-7-10-20(11-8-17)30(24,27)28/h2-12,15,22H,13-14H2,1H3,(H2,24,27,28)
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5.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 4316-4326 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW
More data for this
Ligand-Target Pair
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