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Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'coviello' and Initial = 'v'   
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 12


(Homo sapiens (Human))
BDBM50532428
PNG
(CHEMBL4572367)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11-12(7-10)22(20,21)17-14(11)19/h1-7H,(H,16,18)(H,17,19)
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8.70n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532428
PNG
(CHEMBL4572367)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11-12(7-10)22(20,21)17-14(11)19/h1-7H,(H,16,18)(H,17,19)
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8.70n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532422
PNG
(CHEMBL4469914)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-12-13(8-10)23(20,21)17-15(12)19/h2-8H,1H3,(H,16,18)(H,17,19)
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8.90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532422
PNG
(CHEMBL4469914)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-12-13(8-10)23(20,21)17-15(12)19/h2-8H,1H3,(H,16,18)(H,17,19)
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8.90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532421
PNG
(CHEMBL4561872)
Show SMILES O=C(Nc1ccc2C(=O)NS(=O)(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-4-2-1-3-5-9)15-10-6-7-11-12(8-10)21(19,20)16-14(11)18/h1-8H,(H,15,17)(H,16,18)
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9.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532421
PNG
(CHEMBL4561872)
Show SMILES O=C(Nc1ccc2C(=O)NS(=O)(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-4-2-1-3-5-9)15-10-6-7-11-12(8-10)21(19,20)16-14(11)18/h1-8H,(H,15,17)(H,16,18)
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9.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532430
PNG
(CHEMBL4538817)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9FN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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27n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532430
PNG
(CHEMBL4538817)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9FN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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27n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532433
PNG
(CHEMBL4584482)
Show SMILES CC(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C9H8N2O4S/c1-5(12)10-6-2-3-8-7(4-6)9(13)11-16(8,14)15/h2-4H,1H3,(H,10,12)(H,11,13)
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30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532433
PNG
(CHEMBL4584482)
Show SMILES CC(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C9H8N2O4S/c1-5(12)10-6-2-3-8-7(4-6)9(13)11-16(8,14)15/h2-4H,1H3,(H,10,12)(H,11,13)
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30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532426
PNG
(CHEMBL4545838)
Show SMILES Brc1cccc(c1)C(=O)Nc1cccc2c1C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9BrN2O4S/c15-9-4-1-3-8(7-9)13(18)16-10-5-2-6-11-12(10)14(19)17-22(11,20)21/h1-7H,(H,16,18)(H,17,19)
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31n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532426
PNG
(CHEMBL4545838)
Show SMILES Brc1cccc(c1)C(=O)Nc1cccc2c1C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9BrN2O4S/c15-9-4-1-3-8(7-9)13(18)16-10-5-2-6-11-12(10)14(19)17-22(11,20)21/h1-7H,(H,16,18)(H,17,19)
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31n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532431
PNG
(CHEMBL4471505)
Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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32n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532431
PNG
(CHEMBL4471505)
Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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32n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532430
PNG
(CHEMBL4538817)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9FN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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36n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532430
PNG
(CHEMBL4538817)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9FN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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36n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532432
PNG
(CHEMBL4532693)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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39n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532432
PNG
(CHEMBL4532693)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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39n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532431
PNG
(CHEMBL4471505)
Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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41n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532431
PNG
(CHEMBL4471505)
Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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41n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532423
PNG
(CHEMBL4459118)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-13-12(8-10)15(19)17-23(13,20)21/h2-8H,1H3,(H,16,18)(H,17,19)
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53n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532423
PNG
(CHEMBL4459118)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-13-12(8-10)15(19)17-23(13,20)21/h2-8H,1H3,(H,16,18)(H,17,19)
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53n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532426
PNG
(CHEMBL4545838)
Show SMILES Brc1cccc(c1)C(=O)Nc1cccc2c1C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9BrN2O4S/c15-9-4-1-3-8(7-9)13(18)16-10-5-2-6-11-12(10)14(19)17-22(11,20)21/h1-7H,(H,16,18)(H,17,19)
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59n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532426
PNG
(CHEMBL4545838)
Show SMILES Brc1cccc(c1)C(=O)Nc1cccc2c1C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9BrN2O4S/c15-9-4-1-3-8(7-9)13(18)16-10-5-2-6-11-12(10)14(19)17-22(11,20)21/h1-7H,(H,16,18)(H,17,19)
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59n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532432
PNG
(CHEMBL4532693)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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68n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532432
PNG
(CHEMBL4532693)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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68n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532423
PNG
(CHEMBL4459118)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-13-12(8-10)15(19)17-23(13,20)21/h2-8H,1H3,(H,16,18)(H,17,19)
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74n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532423
PNG
(CHEMBL4459118)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-13-12(8-10)15(19)17-23(13,20)21/h2-8H,1H3,(H,16,18)(H,17,19)
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74n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532435
PNG
(CHEMBL4476084)
Show SMILES O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)21-16-10-11-18-17(12-16)20(24)22-27(18,25)26/h1-12H,(H,21,23)(H,22,24)
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77n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532435
PNG
(CHEMBL4476084)
Show SMILES O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)21-16-10-11-18-17(12-16)20(24)22-27(18,25)26/h1-12H,(H,21,23)(H,22,24)
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77n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532427
PNG
(CHEMBL4583482)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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79n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532427
PNG
(CHEMBL4583482)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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79n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50532435
PNG
(CHEMBL4476084)
Show SMILES O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)21-16-10-11-18-17(12-16)20(24)22-27(18,25)26/h1-12H,(H,21,23)(H,22,24)
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83n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50532435
PNG
(CHEMBL4476084)
Show SMILES O=C(Nc1ccc2c(c1)C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)21-16-10-11-18-17(12-16)20(24)22-27(18,25)26/h1-12H,(H,21,23)(H,22,24)
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83n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532427
PNG
(CHEMBL4583482)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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86n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532427
PNG
(CHEMBL4583482)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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86n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532437
PNG
(CHEMBL4456743)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
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90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532437
PNG
(CHEMBL4456743)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O4S/c23-19(15-11-9-14(10-12-15)13-5-2-1-3-6-13)21-16-7-4-8-17-18(16)20(24)22-27(17,25)26/h1-12H,(H,21,23)(H,22,24)
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90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50532432
PNG
(CHEMBL4532693)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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95n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50532432
PNG
(CHEMBL4532693)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show InChI InChI=1S/C14H9ClN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
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95n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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103n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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103n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50532434
PNG
(CHEMBL4460933)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
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184n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50532434
PNG
(CHEMBL4460933)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
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184n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532422
PNG
(CHEMBL4469914)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-12-13(8-10)23(20,21)17-15(12)19/h2-8H,1H3,(H,16,18)(H,17,19)
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205n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532422
PNG
(CHEMBL4469914)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C15H12N2O5S/c1-22-11-5-2-9(3-6-11)14(18)16-10-4-7-12-13(8-10)23(20,21)17-15(12)19/h2-8H,1H3,(H,16,18)(H,17,19)
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205n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532421
PNG
(CHEMBL4561872)
Show SMILES O=C(Nc1ccc2C(=O)NS(=O)(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-4-2-1-3-5-9)15-10-6-7-11-12(8-10)21(19,20)16-14(11)18/h1-8H,(H,15,17)(H,16,18)
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220n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532421
PNG
(CHEMBL4561872)
Show SMILES O=C(Nc1ccc2C(=O)NS(=O)(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-4-2-1-3-5-9)15-10-6-7-11-12(8-10)21(19,20)16-14(11)18/h1-8H,(H,15,17)(H,16,18)
PDB
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220n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
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