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PubMed code 24948563

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
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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n/an/a 15n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 60n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50046166
PNG
(CHEMBL3310984)
Show SMILES CCCC(C)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C12H19NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3
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n/an/a 70n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
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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n/an/a 73n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50046169
PNG
(CHEMBL3310985)
Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H13NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-10,15H,1H3
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n/an/a 74n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50046167
PNG
(CHEMBL1332361)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
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n/an/a 76n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50046170
PNG
(CHEMBL1533910)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H15NO4S/c1-18-13-9-8-12(10-14(13)19-2)20(16,17)15-11-6-4-3-5-7-11/h3-10,15H,1-2H3
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n/an/a 79n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM46912
PNG
(4-methyl-N-(2-phenylphenyl)benzenesulfonamide | ML...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-15-11-13-17(14-12-15)23(21,22)20-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,20H,1H3
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n/an/a 90n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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n/an/a 90n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50046168
PNG
(CHEMBL1372946)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H15NO2S/c1-12-8-10-14(11-9-12)18(16,17)15(2)13-6-4-3-5-7-13/h3-11H,1-2H3
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n/an/a 93n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50046165
PNG
(CHEMBL1621411)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H20N2O2S/c1-11-5-7-12(8-6-11)17(15,16)13-9-4-10-14(2)3/h5-8,13H,4,9-10H2,1-3H3
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n/an/a 94n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50046171
PNG
(CHEMBL362436)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C12H10N2O4S/c15-14(16)11-6-8-12(9-7-11)19(17,18)13-10-4-2-1-3-5-10/h1-9,13H
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n/an/a 128n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50046171
PNG
(CHEMBL362436)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C12H10N2O4S/c15-14(16)11-6-8-12(9-7-11)19(17,18)13-10-4-2-1-3-5-10/h1-9,13H
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n/an/a 174n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50046170
PNG
(CHEMBL1533910)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H15NO4S/c1-18-13-9-8-12(10-14(13)19-2)20(16,17)15-11-6-4-3-5-7-11/h3-10,15H,1-2H3
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n/an/a 179n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50016567
PNG
((Toluene-4-sulfonylamino)-acetic acid | CHEMBL2874...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
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n/an/a 217n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM46912
PNG
(4-methyl-N-(2-phenylphenyl)benzenesulfonamide | ML...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-15-11-13-17(14-12-15)23(21,22)20-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,20H,1H3
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n/an/a 226n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50046166
PNG
(CHEMBL3310984)
Show SMILES CCCC(C)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C12H19NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3
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n/an/a 248n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50046169
PNG
(CHEMBL3310985)
Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H13NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-10,15H,1H3
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n/an/a 255n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50046168
PNG
(CHEMBL1372946)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H15NO2S/c1-12-8-10-14(11-9-12)18(16,17)15(2)13-6-4-3-5-7-13/h3-11H,1-2H3
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n/an/a 266n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
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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n/an/a 295n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50046165
PNG
(CHEMBL1621411)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H20N2O2S/c1-11-5-7-12(8-6-11)17(15,16)13-9-4-10-14(2)3/h5-8,13H,4,9-10H2,1-3H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50016567
PNG
((Toluene-4-sulfonylamino)-acetic acid | CHEMBL2874...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
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n/an/a 3.62E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50046167
PNG
(CHEMBL1332361)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
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n/an/a 4.28E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM46912
PNG
(4-methyl-N-(2-phenylphenyl)benzenesulfonamide | ML...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-15-11-13-17(14-12-15)23(21,22)20-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,20H,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50046165
PNG
(CHEMBL1621411)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H20N2O2S/c1-11-5-7-12(8-6-11)17(15,16)13-9-4-10-14(2)3/h5-8,13H,4,9-10H2,1-3H3
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n/an/a 6.67E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50046171
PNG
(CHEMBL362436)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C12H10N2O4S/c15-14(16)11-6-8-12(9-7-11)19(17,18)13-10-4-2-1-3-5-10/h1-9,13H
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n/an/a 7.32E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50046166
PNG
(CHEMBL3310984)
Show SMILES CCCC(C)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C12H19NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3
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n/an/a 8.07E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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n/an/a 8.44E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50016567
PNG
((Toluene-4-sulfonylamino)-acetic acid | CHEMBL2874...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
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n/an/a 8.57E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50016567
PNG
((Toluene-4-sulfonylamino)-acetic acid | CHEMBL2874...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50046168
PNG
(CHEMBL1372946)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H15NO2S/c1-12-8-10-14(11-9-12)18(16,17)15(2)13-6-4-3-5-7-13/h3-11H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50046166
PNG
(CHEMBL3310984)
Show SMILES CCCC(C)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C12H19NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h6-9,11,13H,4-5H2,1-3H3
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University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50046165
PNG
(CHEMBL1621411)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H20N2O2S/c1-11-5-7-12(8-6-11)17(15,16)13-9-4-10-14(2)3/h5-8,13H,4,9-10H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50046168
PNG
(CHEMBL1372946)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H15NO2S/c1-12-8-10-14(11-9-12)18(16,17)15(2)13-6-4-3-5-7-13/h3-11H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50046170
PNG
(CHEMBL1533910)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H15NO4S/c1-18-13-9-8-12(10-14(13)19-2)20(16,17)15-11-6-4-3-5-7-11/h3-10,15H,1-2H3
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University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50046167
PNG
(CHEMBL1332361)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
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University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM46912
PNG
(4-methyl-N-(2-phenylphenyl)benzenesulfonamide | ML...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-15-11-13-17(14-12-15)23(21,22)20-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,20H,1H3
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University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50046169
PNG
(CHEMBL3310985)
Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H13NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-10,15H,1H3
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University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50046169
PNG
(CHEMBL3310985)
Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H13NO3S/c1-11(16)12-7-9-14(10-8-12)19(17,18)15-13-5-3-2-4-6-13/h2-10,15H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50046170
PNG
(CHEMBL1533910)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H15NO4S/c1-18-13-9-8-12(10-14(13)19-2)20(16,17)15-11-6-4-3-5-7-11/h3-10,15H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50046171
PNG
(CHEMBL362436)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C12H10N2O4S/c15-14(16)11-6-8-12(9-7-11)19(17,18)13-10-4-2-1-3-5-10/h1-9,13H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50046167
PNG
(CHEMBL1332361)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay


Bioorg Med Chem Lett 24: 3422-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.086
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%