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PubMed code 24713308

Compile data set for download or QSAR
Found 48 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))
BDBM50004346
PNG
(CHEMBL3237848)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1
Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(3)22-12)20-21-17(19-15)18-13-4-6-14(7-5-13)28(26,27)25-10-8-23(2)9-11-25/h4-7H,8-11H2,1-3H3,(H,18,19,21)
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5.30n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004348
PNG
(CHEMBL3237850)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12
Show InChI InChI=1S/C16H20N8O2S/c1-11-14-15(23(2)22-11)20-21-16(19-14)18-12-3-5-13(6-4-12)27(25,26)24-9-7-17-8-10-24/h3-6,17H,7-10H2,1-2H3,(H,18,19,21)
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5.70n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
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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5.80n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004350
PNG
(CHEMBL3237852)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12
Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(2)23-12)21-22-17(20-15)19-13-4-6-14(7-5-13)28(26,27)25-10-3-8-18-9-11-25/h4-7,18H,3,8-11H2,1-2H3,(H,19,20,22)
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5.90n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004336
PNG
(CHEMBL3237853)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12
Show InChI InChI=1S/C17H21N7O2S/c1-12-15-16(23(2)22-12)20-21-17(19-15)18-13-6-8-14(9-7-13)27(25,26)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,21)
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6.20n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004344
PNG
(CHEMBL3237857)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12
Show InChI InChI=1S/C18H24N8O3S/c1-13-16-17(25(2)24-13)22-23-18(21-16)20-14-3-5-15(6-4-14)30(27,28)19-7-8-26-9-11-29-12-10-26/h3-6,19H,7-12H2,1-2H3,(H,20,21,23)
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6.20n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004351
PNG
(CHEMBL3233061)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12
Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)
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6.30n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50013048
PNG
(CHEMBL3261396)
Show SMILES Cc1nn(C)c2nnc(nc12)S(C)(=O)=O
Show InChI InChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3
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6.60n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004340
PNG
(CHEMBL3237854)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12
Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(H,17,18,20)
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7.10n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004349
PNG
(CHEMBL3237851)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12
Show InChI InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)
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7.5n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004342
PNG
(CHEMBL3237855)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)
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7.90n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004342
PNG
(CHEMBL3237855)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)
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8n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004351
PNG
(CHEMBL3233061)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12
Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)
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8.10n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50013049
PNG
(CHEMBL3261397)
Show SMILES Cc1nn(C)c2nnc(Nc3ccccc3)nc12
Show InChI InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)
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9n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
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



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004340
PNG
(CHEMBL3237854)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12
Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(H,17,18,20)
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24n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
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



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004349
PNG
(CHEMBL3237851)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12
Show InChI InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)
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27n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004342
PNG
(CHEMBL3237855)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)
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44n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004340
PNG
(CHEMBL3237854)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12
Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(H,17,18,20)
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62n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013049
PNG
(CHEMBL3261397)
Show SMILES Cc1nn(C)c2nnc(Nc3ccccc3)nc12
Show InChI InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)
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82n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013048
PNG
(CHEMBL3261396)
Show SMILES Cc1nn(C)c2nnc(nc12)S(C)(=O)=O
Show InChI InChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3
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89n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
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



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004342
PNG
(CHEMBL3237855)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)
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270n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004336
PNG
(CHEMBL3237853)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12
Show InChI InChI=1S/C17H21N7O2S/c1-12-15-16(23(2)22-12)20-21-17(19-15)18-13-6-8-14(9-7-13)27(25,26)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,21)
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492n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004351
PNG
(CHEMBL3233061)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12
Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)
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652n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004346
PNG
(CHEMBL3237848)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1
Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(3)22-12)20-21-17(19-15)18-13-4-6-14(7-5-13)28(26,27)25-10-8-23(2)9-11-25/h4-7H,8-11H2,1-3H3,(H,18,19,21)
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667n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004348
PNG
(CHEMBL3237850)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12
Show InChI InChI=1S/C16H20N8O2S/c1-11-14-15(23(2)22-11)20-21-16(19-14)18-12-3-5-13(6-4-12)27(25,26)24-9-7-17-8-10-24/h3-6,17H,7-10H2,1-2H3,(H,18,19,21)
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703n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004344
PNG
(CHEMBL3237857)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12
Show InChI InChI=1S/C18H24N8O3S/c1-13-16-17(25(2)24-13)22-23-18(21-16)20-14-3-5-15(6-4-14)30(27,28)19-7-8-26-9-11-29-12-10-26/h3-6,19H,7-12H2,1-2H3,(H,20,21,23)
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719n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004349
PNG
(CHEMBL3237851)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12
Show InChI InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)
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772n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013048
PNG
(CHEMBL3261396)
Show SMILES Cc1nn(C)c2nnc(nc12)S(C)(=O)=O
Show InChI InChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3
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774n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004344
PNG
(CHEMBL3237857)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12
Show InChI InChI=1S/C18H24N8O3S/c1-13-16-17(25(2)24-13)22-23-18(21-16)20-14-3-5-15(6-4-14)30(27,28)19-7-8-26-9-11-29-12-10-26/h3-6,19H,7-12H2,1-2H3,(H,20,21,23)
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824n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50013049
PNG
(CHEMBL3261397)
Show SMILES Cc1nn(C)c2nnc(Nc3ccccc3)nc12
Show InChI InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)
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826n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004350
PNG
(CHEMBL3237852)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12
Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(2)23-12)21-22-17(20-15)19-13-4-6-14(7-5-13)28(26,27)25-10-3-8-18-9-11-25/h4-7,18H,3,8-11H2,1-2H3,(H,19,20,22)
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918n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004351
PNG
(CHEMBL3233061)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12
Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004348
PNG
(CHEMBL3237850)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12
Show InChI InChI=1S/C16H20N8O2S/c1-11-14-15(23(2)22-11)20-21-16(19-14)18-12-3-5-13(6-4-12)27(25,26)24-9-7-17-8-10-24/h3-6,17H,7-10H2,1-2H3,(H,18,19,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004349
PNG
(CHEMBL3237851)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12
Show InChI InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013049
PNG
(CHEMBL3261397)
Show SMILES Cc1nn(C)c2nnc(Nc3ccccc3)nc12
Show InChI InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004346
PNG
(CHEMBL3237848)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1
Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(3)22-12)20-21-17(19-15)18-13-4-6-14(7-5-13)28(26,27)25-10-8-23(2)9-11-25/h4-7H,8-11H2,1-3H3,(H,18,19,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50013048
PNG
(CHEMBL3261396)
Show SMILES Cc1nn(C)c2nnc(nc12)S(C)(=O)=O
Show InChI InChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004344
PNG
(CHEMBL3237857)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12
Show InChI InChI=1S/C18H24N8O3S/c1-13-16-17(25(2)24-13)22-23-18(21-16)20-14-3-5-15(6-4-14)30(27,28)19-7-8-26-9-11-29-12-10-26/h3-6,19H,7-12H2,1-2H3,(H,20,21,23)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004336
PNG
(CHEMBL3237853)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12
Show InChI InChI=1S/C17H21N7O2S/c1-12-15-16(23(2)22-12)20-21-17(19-15)18-13-6-8-14(9-7-13)27(25,26)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004346
PNG
(CHEMBL3237848)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1
Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(3)22-12)20-21-17(19-15)18-13-4-6-14(7-5-13)28(26,27)25-10-8-23(2)9-11-25/h4-7H,8-11H2,1-3H3,(H,18,19,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004348
PNG
(CHEMBL3237850)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12
Show InChI InChI=1S/C16H20N8O2S/c1-11-14-15(23(2)22-11)20-21-16(19-14)18-12-3-5-13(6-4-12)27(25,26)24-9-7-17-8-10-24/h3-6,17H,7-10H2,1-2H3,(H,18,19,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004336
PNG
(CHEMBL3237853)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12
Show InChI InChI=1S/C17H21N7O2S/c1-12-15-16(23(2)22-12)20-21-17(19-15)18-13-6-8-14(9-7-13)27(25,26)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004350
PNG
(CHEMBL3237852)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12
Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(2)23-12)21-22-17(20-15)19-13-4-6-14(7-5-13)28(26,27)25-10-3-8-18-9-11-25/h4-7,18H,3,8-11H2,1-2H3,(H,19,20,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004340
PNG
(CHEMBL3237854)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12
Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(H,17,18,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004350
PNG
(CHEMBL3237852)
Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12
Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(2)23-12)21-22-17(20-15)19-13-4-6-14(7-5-13)28(26,27)25-10-3-8-18-9-11-25/h4-7,18H,3,8-11H2,1-2H3,(H,19,20,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


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


Bioorg Med Chem 22: 2643-7 (2014)


Article DOI: 10.1016/j.bmc.2014.03.029
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%