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PubMed code 26233435

Compile data set for download or QSAR
Found 76 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))
BDBM50116585
PNG
(CHEMBL3609478)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C16H19N5O3S/c17-25(23,24)14-6-4-13(5-7-14)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)(H2,17,23,24)
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0.75n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116582
PNG
(CHEMBL3609476)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-16-4-2-3-15(13-16)21-9-11-22(12-10-21)18(23)20-14-5-7-17(8-6-14)27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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1.70n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116581
PNG
(CHEMBL3609475)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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1.90n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116578
PNG
(CHEMBL3609199)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C17H19ClN4O3S/c18-13-2-1-3-15(12-13)21-8-10-22(11-9-21)17(23)20-14-4-6-16(7-5-14)26(19,24)25/h1-7,12H,8-11H2,(H,20,23)(H2,19,24,25)
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2.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116586
PNG
(CHEMBL3609479)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)14-2-1-7-22-15(14)24-8-10-25(11-9-24)16(26)23-12-3-5-13(6-4-12)29(21,27)28/h1-7H,8-11H2,(H,23,26)(H2,21,27,28)
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4.10n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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4.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116580
PNG
(CHEMBL3609201)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H18Cl2N4O3S/c18-15-6-3-13(11-16(15)19)22-7-9-23(10-8-22)17(24)21-12-1-4-14(5-2-12)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)
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5.40n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

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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5.60n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116589
PNG
(CHEMBL3609482)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H17F3N6O3S/c17-16(18,19)13-5-6-21-14(23-13)24-7-9-25(10-8-24)15(26)22-11-1-3-12(4-2-11)29(20,27)28/h1-6H,7-10H2,(H,22,26)(H2,20,27,28)
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5.70n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM75364
PNG
(4-(phenylmethyl)-N-(4-sulfamoylphenyl)-1-piperazin...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
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6.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116588
PNG
(CHEMBL3609481)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C#N)cc1
Show InChI InChI=1S/C17H18N6O3S/c18-12-13-2-1-7-20-16(13)22-8-10-23(11-9-22)17(24)21-14-3-5-15(6-4-14)27(19,25)26/h1-7H,8-11H2,(H,21,24)(H2,19,25,26)
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6.80n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116588
PNG
(CHEMBL3609481)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C#N)cc1
Show InChI InChI=1S/C17H18N6O3S/c18-12-13-2-1-7-20-16(13)22-8-10-23(11-9-22)17(24)21-14-3-5-15(6-4-14)27(19,25)26/h1-7H,8-11H2,(H,21,24)(H2,19,25,26)
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7.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116576
PNG
(CHEMBL3609197)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H20N4O3S/c18-25(23,24)16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)
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8.70n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116583
PNG
(CHEMBL1714980)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-16-6-4-15(5-7-16)21-10-12-22(13-11-21)18(23)20-14-2-8-17(9-3-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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8.90n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116577
PNG
(CHEMBL3609198)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H19FN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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9.90n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

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



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116577
PNG
(CHEMBL3609198)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H19FN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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15n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116588
PNG
(CHEMBL3609481)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C#N)cc1
Show InChI InChI=1S/C17H18N6O3S/c18-12-13-2-1-7-20-16(13)22-8-10-23(11-9-22)17(24)21-14-3-5-15(6-4-14)27(19,25)26/h1-7H,8-11H2,(H,21,24)(H2,19,25,26)
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17n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116589
PNG
(CHEMBL3609482)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H17F3N6O3S/c17-16(18,19)13-5-6-21-14(23-13)24-7-9-25(10-8-24)15(26)22-11-1-3-12(4-2-11)29(20,27)28/h1-6H,7-10H2,(H,22,26)(H2,20,27,28)
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18n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116575
PNG
(CHEMBL3609196)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C18H21ClN4O3S/c19-15-3-1-14(2-4-15)13-22-9-11-23(12-10-22)18(24)21-16-5-7-17(8-6-16)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26)
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23n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

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



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116587
PNG
(CHEMBL3609480)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28)
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26n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116585
PNG
(CHEMBL3609478)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C16H19N5O3S/c17-25(23,24)14-6-4-13(5-7-14)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)(H2,17,23,24)
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27n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116576
PNG
(CHEMBL3609197)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H20N4O3S/c18-25(23,24)16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)
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31n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116582
PNG
(CHEMBL3609476)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-16-4-2-3-15(13-16)21-9-11-22(12-10-21)18(23)20-14-5-7-17(8-6-14)27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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34n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116579
PNG
(CHEMBL3609200)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H19ClN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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38n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116582
PNG
(CHEMBL3609476)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-16-4-2-3-15(13-16)21-9-11-22(12-10-21)18(23)20-14-5-7-17(8-6-14)27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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40n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116575
PNG
(CHEMBL3609196)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C18H21ClN4O3S/c19-15-3-1-14(2-4-15)13-22-9-11-23(12-10-22)18(24)21-16-5-7-17(8-6-16)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26)
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40n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116589
PNG
(CHEMBL3609482)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H17F3N6O3S/c17-16(18,19)13-5-6-21-14(23-13)24-7-9-25(10-8-24)15(26)22-11-1-3-12(4-2-11)29(20,27)28/h1-6H,7-10H2,(H,22,26)(H2,20,27,28)
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44n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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45n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116577
PNG
(CHEMBL3609198)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H19FN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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47n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116576
PNG
(CHEMBL3609197)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H20N4O3S/c18-25(23,24)16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)
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49n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM75364
PNG
(4-(phenylmethyl)-N-(4-sulfamoylphenyl)-1-piperazin...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
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50n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116586
PNG
(CHEMBL3609479)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)14-2-1-7-22-15(14)24-8-10-25(11-9-24)16(26)23-12-3-5-13(6-4-12)29(21,27)28/h1-7H,8-11H2,(H,23,26)(H2,21,27,28)
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52n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116574
PNG
(CHEMBL3609195)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C13H20N4O4S/c14-22(20,21)12-3-1-11(2-4-12)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19)(H2,14,20,21)
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63n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116575
PNG
(CHEMBL3609196)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C18H21ClN4O3S/c19-15-3-1-14(2-4-15)13-22-9-11-23(12-10-22)18(24)21-16-5-7-17(8-6-16)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26)
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77n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116574
PNG
(CHEMBL3609195)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C13H20N4O4S/c14-22(20,21)12-3-1-11(2-4-12)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19)(H2,14,20,21)
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88n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116578
PNG
(CHEMBL3609199)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C17H19ClN4O3S/c18-13-2-1-3-15(12-13)21-8-10-22(11-9-21)17(23)20-14-4-6-16(7-5-14)26(19,24)25/h1-7,12H,8-11H2,(H,20,23)(H2,19,24,25)
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91n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116581
PNG
(CHEMBL3609475)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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113n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116584
PNG
(CHEMBL3609477)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H28N4O3S/c1-21(2,3)16-4-8-18(9-5-16)24-12-14-25(15-13-24)20(26)23-17-6-10-19(11-7-17)29(22,27)28/h4-11H,12-15H2,1-3H3,(H,23,26)(H2,22,27,28)
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120n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116580
PNG
(CHEMBL3609201)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H18Cl2N4O3S/c18-15-6-3-13(11-16(15)19)22-7-9-23(10-8-22)17(24)21-12-1-4-14(5-2-12)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)
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128n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116584
PNG
(CHEMBL3609477)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H28N4O3S/c1-21(2,3)16-4-8-18(9-5-16)24-12-14-25(15-13-24)20(26)23-17-6-10-19(11-7-17)29(22,27)28/h4-11H,12-15H2,1-3H3,(H,23,26)(H2,22,27,28)
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129n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116589
PNG
(CHEMBL3609482)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H17F3N6O3S/c17-16(18,19)13-5-6-21-14(23-13)24-7-9-25(10-8-24)15(26)22-11-1-3-12(4-2-11)29(20,27)28/h1-6H,7-10H2,(H,22,26)(H2,20,27,28)
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134n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116584
PNG
(CHEMBL3609477)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H28N4O3S/c1-21(2,3)16-4-8-18(9-5-16)24-12-14-25(15-13-24)20(26)23-17-6-10-19(11-7-17)29(22,27)28/h4-11H,12-15H2,1-3H3,(H,23,26)(H2,22,27,28)
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136n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116585
PNG
(CHEMBL3609478)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C16H19N5O3S/c17-25(23,24)14-6-4-13(5-7-14)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)(H2,17,23,24)
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144n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM75364
PNG
(4-(phenylmethyl)-N-(4-sulfamoylphenyl)-1-piperazin...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
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149n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116581
PNG
(CHEMBL3609475)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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150n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116582
PNG
(CHEMBL3609476)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-16-4-2-3-15(13-16)21-9-11-22(12-10-21)18(23)20-14-5-7-17(8-6-14)27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25)
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153n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116575
PNG
(CHEMBL3609196)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C18H21ClN4O3S/c19-15-3-1-14(2-4-15)13-22-9-11-23(12-10-22)18(24)21-16-5-7-17(8-6-16)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26)
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165n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116587
PNG
(CHEMBL3609480)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28)
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179n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116583
PNG
(CHEMBL1714980)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-16-6-4-15(5-7-16)21-10-12-22(13-11-21)18(23)20-14-2-8-17(9-3-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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181n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116588
PNG
(CHEMBL3609481)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C#N)cc1
Show InChI InChI=1S/C17H18N6O3S/c18-12-13-2-1-7-20-16(13)22-8-10-23(11-9-22)17(24)21-14-3-5-15(6-4-14)27(19,25)26/h1-7H,8-11H2,(H,21,24)(H2,19,25,26)
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202n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116574
PNG
(CHEMBL3609195)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C13H20N4O4S/c14-22(20,21)12-3-1-11(2-4-12)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19)(H2,14,20,21)
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213n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116578
PNG
(CHEMBL3609199)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C17H19ClN4O3S/c18-13-2-1-3-15(12-13)21-8-10-22(11-9-21)17(23)20-14-4-6-16(7-5-14)26(19,24)25/h1-7,12H,8-11H2,(H,20,23)(H2,19,24,25)
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233n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116581
PNG
(CHEMBL3609475)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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237n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116586
PNG
(CHEMBL3609479)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)14-2-1-7-22-15(14)24-8-10-25(11-9-24)16(26)23-12-3-5-13(6-4-12)29(21,27)28/h1-7H,8-11H2,(H,23,26)(H2,21,27,28)
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247n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

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



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116580
PNG
(CHEMBL3609201)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H18Cl2N4O3S/c18-15-6-3-13(11-16(15)19)22-7-9-23(10-8-22)17(24)21-12-1-4-14(5-2-12)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)
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268n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116586
PNG
(CHEMBL3609479)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)14-2-1-7-22-15(14)24-8-10-25(11-9-24)16(26)23-12-3-5-13(6-4-12)29(21,27)28/h1-7H,8-11H2,(H,23,26)(H2,21,27,28)
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280n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116579
PNG
(CHEMBL3609200)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H19ClN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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320n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116583
PNG
(CHEMBL1714980)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-16-6-4-15(5-7-16)21-10-12-22(13-11-21)18(23)20-14-2-8-17(9-3-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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374n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116583
PNG
(CHEMBL1714980)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O4S/c1-26-16-6-4-15(5-7-16)21-10-12-22(13-11-21)18(23)20-14-2-8-17(9-3-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25)
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409n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116574
PNG
(CHEMBL3609195)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C13H20N4O4S/c14-22(20,21)12-3-1-11(2-4-12)15-13(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,19)(H2,14,20,21)
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436n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM75364
PNG
(4-(phenylmethyl)-N-(4-sulfamoylphenyl)-1-piperazin...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
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462n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116585
PNG
(CHEMBL3609478)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C16H19N5O3S/c17-25(23,24)14-6-4-13(5-7-14)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)(H2,17,23,24)
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487n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116587
PNG
(CHEMBL3609480)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28)
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509n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116587
PNG
(CHEMBL3609480)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28)
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514n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116579
PNG
(CHEMBL3609200)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H19ClN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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721n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116576
PNG
(CHEMBL3609197)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H20N4O3S/c18-25(23,24)16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24)
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812n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116578
PNG
(CHEMBL3609199)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C17H19ClN4O3S/c18-13-2-1-3-15(12-13)21-8-10-22(11-9-21)17(23)20-14-4-6-16(7-5-14)26(19,24)25/h1-7,12H,8-11H2,(H,20,23)(H2,19,24,25)
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847n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116584
PNG
(CHEMBL3609477)
Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H28N4O3S/c1-21(2,3)16-4-8-18(9-5-16)24-12-14-25(15-13-24)20(26)23-17-6-10-19(11-7-17)29(22,27)28/h4-11H,12-15H2,1-3H3,(H,23,26)(H2,22,27,28)
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931n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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960n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116577
PNG
(CHEMBL3609198)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H19FN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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1.95E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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5.08E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116580
PNG
(CHEMBL3609201)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H18Cl2N4O3S/c18-15-6-3-13(11-16(15)19)22-7-9-23(10-8-22)17(24)21-12-1-4-14(5-2-12)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)
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9.49E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116579
PNG
(CHEMBL3609200)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H19ClN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 25: 3850-3 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%