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PubMed code 25875209

Compile data set for download or QSAR
Found 60 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 12


(Homo sapiens (Human))
BDBM50087044
PNG
(CHEMBL3426540)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccncc1 |c:11|
Show InChI InChI=1S/C14H10N2O4S/c17-14(10-3-6-15-7-4-10)16-12-1-2-13-11(9-12)5-8-21(18,19)20-13/h1-9H,(H,16,17)
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2.10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087051
PNG
(CHEMBL3426533)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H13NO4S/c1-11-2-4-12(5-3-11)16(18)17-14-6-7-15-13(10-14)8-9-22(19,20)21-15/h2-10H,1H3,(H,17,18)
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2.40n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087053
PNG
(CHEMBL3426531)
Show SMILES CC(C)(C)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:15|
Show InChI InChI=1S/C13H15NO4S/c1-13(2,3)12(15)14-10-4-5-11-9(8-10)6-7-19(16,17)18-11/h4-8H,1-3H3,(H,14,15)
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3.20n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087054
PNG
(CHEMBL3426530)
Show SMILES CC(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:12|
Show InChI InChI=1S/C10H9NO4S/c1-7(12)11-9-2-3-10-8(6-9)4-5-16(13,14)15-10/h2-6H,1H3,(H,11,12)
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3.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087048
PNG
(CHEMBL3426536)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H13NO4S/c18-16(10-12-4-2-1-3-5-12)17-14-6-7-15-13(11-14)8-9-22(19,20)21-15/h1-9,11H,10H2,(H,17,18)
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4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087049
PNG
(CHEMBL3426535)
Show SMILES Ic1ccccc1C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H10INO4S/c16-13-4-2-1-3-12(13)15(18)17-11-5-6-14-10(9-11)7-8-22(19,20)21-14/h1-9H,(H,17,18)
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4.80n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087053
PNG
(CHEMBL3426531)
Show SMILES CC(C)(C)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:15|
Show InChI InChI=1S/C13H15NO4S/c1-13(2,3)12(15)14-10-4-5-11-9(8-10)6-7-19(16,17)18-11/h4-8H,1-3H3,(H,14,15)
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5.60n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087047
PNG
(CHEMBL3426537)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccs1 |c:11|
Show InChI InChI=1S/C13H9NO4S2/c15-13(12-2-1-6-19-12)14-10-3-4-11-9(8-10)5-7-20(16,17)18-11/h1-8H,(H,14,15)
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6.10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087046
PNG
(CHEMBL3426538)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccco1 |c:11|
Show InChI InChI=1S/C13H9NO5S/c15-13(12-2-1-6-18-12)14-10-3-4-11-9(8-10)5-7-20(16,17)19-11/h1-8H,(H,14,15)
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6.20n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087052
PNG
(CHEMBL3426532)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccccc1 |c:11|
Show InChI InChI=1S/C15H11NO4S/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-21(18,19)20-14/h1-10H,(H,16,17)
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6.60n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087045
PNG
(CHEMBL3426539)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccnc1 |c:11|
Show InChI InChI=1S/C14H10N2O4S/c17-14(11-2-1-6-15-9-11)16-12-3-4-13-10(8-12)5-7-21(18,19)20-13/h1-9H,(H,16,17)
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6.80n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087050
PNG
(CHEMBL3426534)
Show SMILES Brc1ccccc1C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H10BrNO4S/c16-13-4-2-1-3-12(13)15(18)17-11-5-6-14-10(9-11)7-8-22(19,20)21-14/h1-9H,(H,17,18)
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7n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087044
PNG
(CHEMBL3426540)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccncc1 |c:11|
Show InChI InChI=1S/C14H10N2O4S/c17-14(10-3-6-15-7-4-10)16-12-1-2-13-11(9-12)5-8-21(18,19)20-13/h1-9H,(H,16,17)
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7.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087052
PNG
(CHEMBL3426532)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccccc1 |c:11|
Show InChI InChI=1S/C15H11NO4S/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-21(18,19)20-14/h1-10H,(H,16,17)
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8.10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087055
PNG
(CHEMBL3426529)
Show SMILES [I-].C[N+](C)(C)c1ccc2OS(=O)(=O)C=Cc2c1 |c:12|
Show InChI InChI=1S/C11H14NO3S/c1-12(2,3)10-4-5-11-9(8-10)6-7-16(13,14)15-11/h4-8H,1-3H3/q+1
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8.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087051
PNG
(CHEMBL3426533)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H13NO4S/c1-11-2-4-12(5-3-11)16(18)17-14-6-7-15-13(10-14)8-9-22(19,20)21-15/h2-10H,1H3,(H,17,18)
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9n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087049
PNG
(CHEMBL3426535)
Show SMILES Ic1ccccc1C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H10INO4S/c16-13-4-2-1-3-12(13)15(18)17-11-5-6-14-10(9-11)7-8-22(19,20)21-14/h1-9H,(H,17,18)
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9.10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087055
PNG
(CHEMBL3426529)
Show SMILES [I-].C[N+](C)(C)c1ccc2OS(=O)(=O)C=Cc2c1 |c:12|
Show InChI InChI=1S/C11H14NO3S/c1-12(2,3)10-4-5-11-9(8-10)6-7-16(13,14)15-11/h4-8H,1-3H3/q+1
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9.60n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087050
PNG
(CHEMBL3426534)
Show SMILES Brc1ccccc1C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H10BrNO4S/c16-13-4-2-1-3-12(13)15(18)17-11-5-6-14-10(9-11)7-8-22(19,20)21-14/h1-9H,(H,17,18)
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9.70n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087043
PNG
(CHEMBL3426541)
Show SMILES COc1ccc2OS(=O)(=O)C=Cc2c1 |c:10|
Show InChI InChI=1S/C9H8O4S/c1-12-8-2-3-9-7(6-8)4-5-14(10,11)13-9/h2-6H,1H3
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11n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087045
PNG
(CHEMBL3426539)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccnc1 |c:11|
Show InChI InChI=1S/C14H10N2O4S/c17-14(11-2-1-6-15-9-11)16-12-3-4-13-10(8-12)5-7-21(18,19)20-13/h1-9H,(H,16,17)
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11n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087054
PNG
(CHEMBL3426530)
Show SMILES CC(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:12|
Show InChI InChI=1S/C10H9NO4S/c1-7(12)11-9-2-3-10-8(6-9)4-5-16(13,14)15-10/h2-6H,1H3,(H,11,12)
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17n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50087042
PNG
(CHEMBL3426542)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)C#N |c:11|
Show InChI InChI=1S/C9H5NO3S/c10-6-7-1-2-9-8(5-7)3-4-14(11,12)13-9/h1-5H
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27n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087047
PNG
(CHEMBL3426537)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccs1 |c:11|
Show InChI InChI=1S/C13H9NO4S2/c15-13(12-2-1-6-19-12)14-10-3-4-11-9(8-10)5-7-20(16,17)18-11/h1-8H,(H,14,15)
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30n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087046
PNG
(CHEMBL3426538)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccco1 |c:11|
Show InChI InChI=1S/C13H9NO5S/c15-13(12-2-1-6-18-12)14-10-3-4-11-9(8-10)5-7-20(16,17)19-11/h1-8H,(H,14,15)
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33n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087042
PNG
(CHEMBL3426542)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)C#N |c:11|
Show InChI InChI=1S/C9H5NO3S/c10-6-7-1-2-9-8(5-7)3-4-14(11,12)13-9/h1-5H
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34n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087043
PNG
(CHEMBL3426541)
Show SMILES COc1ccc2OS(=O)(=O)C=Cc2c1 |c:10|
Show InChI InChI=1S/C9H8O4S/c1-12-8-2-3-9-7(6-8)4-5-14(10,11)13-9/h2-6H,1H3
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42n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50087048
PNG
(CHEMBL3426536)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H13NO4S/c18-16(10-12-4-2-1-3-5-12)17-14-6-7-15-13(11-14)8-9-22(19,20)21-15/h1-9,11H,10H2,(H,17,18)
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81n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087053
PNG
(CHEMBL3426531)
Show SMILES CC(C)(C)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:15|
Show InChI InChI=1S/C13H15NO4S/c1-13(2,3)12(15)14-10-4-5-11-9(8-10)6-7-19(16,17)18-11/h4-8H,1-3H3,(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087055
PNG
(CHEMBL3426529)
Show SMILES [I-].C[N+](C)(C)c1ccc2OS(=O)(=O)C=Cc2c1 |c:12|
Show InChI InChI=1S/C11H14NO3S/c1-12(2,3)10-4-5-11-9(8-10)6-7-16(13,14)15-11/h4-8H,1-3H3/q+1
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087049
PNG
(CHEMBL3426535)
Show SMILES Ic1ccccc1C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H10INO4S/c16-13-4-2-1-3-12(13)15(18)17-11-5-6-14-10(9-11)7-8-22(19,20)21-14/h1-9H,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087048
PNG
(CHEMBL3426536)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H13NO4S/c18-16(10-12-4-2-1-3-5-12)17-14-6-7-15-13(11-14)8-9-22(19,20)21-15/h1-9,11H,10H2,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087048
PNG
(CHEMBL3426536)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H13NO4S/c18-16(10-12-4-2-1-3-5-12)17-14-6-7-15-13(11-14)8-9-22(19,20)21-15/h1-9,11H,10H2,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087043
PNG
(CHEMBL3426541)
Show SMILES COc1ccc2OS(=O)(=O)C=Cc2c1 |c:10|
Show InChI InChI=1S/C9H8O4S/c1-12-8-2-3-9-7(6-8)4-5-14(10,11)13-9/h2-6H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087045
PNG
(CHEMBL3426539)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccnc1 |c:11|
Show InChI InChI=1S/C14H10N2O4S/c17-14(11-2-1-6-15-9-11)16-12-3-4-13-10(8-12)5-7-21(18,19)20-13/h1-9H,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087052
PNG
(CHEMBL3426532)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccccc1 |c:11|
Show InChI InChI=1S/C15H11NO4S/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-21(18,19)20-14/h1-10H,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087051
PNG
(CHEMBL3426533)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H13NO4S/c1-11-2-4-12(5-3-11)16(18)17-14-6-7-15-13(10-14)8-9-22(19,20)21-15/h2-10H,1H3,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087050
PNG
(CHEMBL3426534)
Show SMILES Brc1ccccc1C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H10BrNO4S/c16-13-4-2-1-3-12(13)15(18)17-11-5-6-14-10(9-11)7-8-22(19,20)21-14/h1-9H,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087055
PNG
(CHEMBL3426529)
Show SMILES [I-].C[N+](C)(C)c1ccc2OS(=O)(=O)C=Cc2c1 |c:12|
Show InChI InChI=1S/C11H14NO3S/c1-12(2,3)10-4-5-11-9(8-10)6-7-16(13,14)15-11/h4-8H,1-3H3/q+1
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087052
PNG
(CHEMBL3426532)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccccc1 |c:11|
Show InChI InChI=1S/C15H11NO4S/c17-15(11-4-2-1-3-5-11)16-13-6-7-14-12(10-13)8-9-21(18,19)20-14/h1-10H,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087043
PNG
(CHEMBL3426541)
Show SMILES COc1ccc2OS(=O)(=O)C=Cc2c1 |c:10|
Show InChI InChI=1S/C9H8O4S/c1-12-8-2-3-9-7(6-8)4-5-14(10,11)13-9/h2-6H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087047
PNG
(CHEMBL3426537)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccs1 |c:11|
Show InChI InChI=1S/C13H9NO4S2/c15-13(12-2-1-6-19-12)14-10-3-4-11-9(8-10)5-7-20(16,17)18-11/h1-8H,(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087045
PNG
(CHEMBL3426539)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccnc1 |c:11|
Show InChI InChI=1S/C14H10N2O4S/c17-14(11-2-1-6-15-9-11)16-12-3-4-13-10(8-12)5-7-21(18,19)20-13/h1-9H,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087051
PNG
(CHEMBL3426533)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C16H13NO4S/c1-11-2-4-12(5-3-11)16(18)17-14-6-7-15-13(10-14)8-9-22(19,20)21-15/h2-10H,1H3,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087046
PNG
(CHEMBL3426538)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccco1 |c:11|
Show InChI InChI=1S/C13H9NO5S/c15-13(12-2-1-6-18-12)14-10-3-4-11-9(8-10)5-7-20(16,17)19-11/h1-8H,(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087042
PNG
(CHEMBL3426542)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)C#N |c:11|
Show InChI InChI=1S/C9H5NO3S/c10-6-7-1-2-9-8(5-7)3-4-14(11,12)13-9/h1-5H
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087047
PNG
(CHEMBL3426537)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccs1 |c:11|
Show InChI InChI=1S/C13H9NO4S2/c15-13(12-2-1-6-19-12)14-10-3-4-11-9(8-10)5-7-20(16,17)18-11/h1-8H,(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087044
PNG
(CHEMBL3426540)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccncc1 |c:11|
Show InChI InChI=1S/C14H10N2O4S/c17-14(10-3-6-15-7-4-10)16-12-1-2-13-11(9-12)5-8-21(18,19)20-13/h1-9H,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087054
PNG
(CHEMBL3426530)
Show SMILES CC(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:12|
Show InChI InChI=1S/C10H9NO4S/c1-7(12)11-9-2-3-10-8(6-9)4-5-16(13,14)15-10/h2-6H,1H3,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087042
PNG
(CHEMBL3426542)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)C#N |c:11|
Show InChI InChI=1S/C9H5NO3S/c10-6-7-1-2-9-8(5-7)3-4-14(11,12)13-9/h1-5H
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087046
PNG
(CHEMBL3426538)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccco1 |c:11|
Show InChI InChI=1S/C13H9NO5S/c15-13(12-2-1-6-18-12)14-10-3-4-11-9(8-10)5-7-20(16,17)19-11/h1-8H,(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087053
PNG
(CHEMBL3426531)
Show SMILES CC(C)(C)C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:15|
Show InChI InChI=1S/C13H15NO4S/c1-13(2,3)12(15)14-10-4-5-11-9(8-10)6-7-19(16,17)18-11/h4-8H,1-3H3,(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087054
PNG
(CHEMBL3426530)
Show SMILES CC(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:12|
Show InChI InChI=1S/C10H9NO4S/c1-7(12)11-9-2-3-10-8(6-9)4-5-16(13,14)15-10/h2-6H,1H3,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50087044
PNG
(CHEMBL3426540)
Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1ccncc1 |c:11|
Show InChI InChI=1S/C14H10N2O4S/c17-14(10-3-6-15-7-4-10)16-12-1-2-13-11(9-12)5-8-21(18,19)20-13/h1-9H,(H,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087049
PNG
(CHEMBL3426535)
Show SMILES Ic1ccccc1C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H10INO4S/c16-13-4-2-1-3-12(13)15(18)17-11-5-6-14-10(9-11)7-8-22(19,20)21-14/h1-9H,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087050
PNG
(CHEMBL3426534)
Show SMILES Brc1ccccc1C(=O)Nc1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C15H10BrNO4S/c16-13-4-2-1-3-12(13)15(18)17-11-5-6-14-10(9-11)7-8-22(19,20)21-14/h1-9H,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay


J Med Chem 58: 3975-83 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00523
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%