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PubMed code 25022971

Compile data set for download or QSAR
Found 124 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))
BDBM50050906
PNG
(CHEMBL3309854)
Show SMILES NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11N3O7S2/c15-26(21,22)12-8-6-10(7-9-12)23-13-14(17(18)24-16-13)25(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)
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2.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050905
PNG
(CHEMBL3309853)
Show SMILES NS(=O)(=O)c1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11N3O6S2/c15-25(20,21)12-8-6-10(7-9-12)22-13-14(17-23-16-13)24(18,19)11-4-2-1-3-5-11/h1-9H,(H2,15,20,21)
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3.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050921
PNG
(CHEMBL3309370)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(Sc2ccccc2)no[n+]1[O-]
Show InChI InChI=1S/C14H11N3O4S2/c15-23(19,20)12-8-6-10(7-9-12)13-14(16-21-17(13)18)22-11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050920
PNG
(CHEMBL3309369)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1Sc1ccccc1
Show InChI InChI=1S/C14H11N3O3S2/c15-22(18,19)12-8-6-10(7-9-12)13-14(17-20-16-13)21-11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)
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3.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50051028
PNG
(CHEMBL3309359)
Show SMILES CC(C)COc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C6H11N3O4S/c1-4(2)3-12-5-6(9-13-8-5)14(7,10)11/h4H,3H2,1-2H3,(H2,7,10,11)
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3.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050959
PNG
(CHEMBL3309354)
Show SMILES Cc1no[n+]([O-])c1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-2-3(11(4,8)9)6(7)10-5-2/h1H3,(H2,4,8,9)
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4.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050958
PNG
(CHEMBL3309353)
Show SMILES Cc1c(no[n+]1[O-])S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-2-3(11(4,8)9)5-10-6(2)7/h1H3,(H2,4,8,9)
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50051027
PNG
(CHEMBL3309358)
Show SMILES CCCCOc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C6H11N3O4S/c1-2-3-4-12-5-6(9-13-8-5)14(7,10)11/h2-4H2,1H3,(H2,7,10,11)
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4.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50051029
PNG
(CHEMBL3309360)
Show SMILES NS(=O)(=O)c1nonc1OCc1ccccc1
Show InChI InChI=1S/C9H9N3O4S/c10-17(13,14)9-8(11-16-12-9)15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13,14)
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5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50051028
PNG
(CHEMBL3309359)
Show SMILES CC(C)COc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C6H11N3O4S/c1-4(2)3-12-5-6(9-13-8-5)14(7,10)11/h4H,3H2,1-2H3,(H2,7,10,11)
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5.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50051027
PNG
(CHEMBL3309358)
Show SMILES CCCCOc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C6H11N3O4S/c1-2-3-4-12-5-6(9-13-8-5)14(7,10)11/h2-4H2,1H3,(H2,7,10,11)
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5.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050903
PNG
(CHEMBL3309377)
Show SMILES NS(=O)(=O)c1ccc(OCc2nonc2C#N)cc1
Show InChI InChI=1S/C10H8N4O4S/c11-5-9-10(14-18-13-9)6-17-7-1-3-8(4-2-7)19(12,15)16/h1-4H,6H2,(H2,12,15,16)
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5.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50051025
PNG
(CHEMBL3309356)
Show SMILES COc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-9-2-3(6-10-5-2)11(4,7)8/h1H3,(H2,4,7,8)
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5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50051029
PNG
(CHEMBL3309360)
Show SMILES NS(=O)(=O)c1nonc1OCc1ccccc1
Show InChI InChI=1S/C9H9N3O4S/c10-17(13,14)9-8(11-16-12-9)15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13,14)
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5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050904
PNG
(CHEMBL3309378)
Show SMILES NS(=O)(=O)c1ccc(OCc2no[n+]([O-])c2C#N)cc1
Show InChI InChI=1S/C10H8N4O5S/c11-5-10-9(13-19-14(10)15)6-18-7-1-3-8(4-2-7)20(12,16)17/h1-4H,6H2,(H2,12,16,17)
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5.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050907
PNG
(CHEMBL3309352)
Show SMILES Cc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O3S/c1-2-3(6-9-5-2)10(4,7)8/h1H3,(H2,4,7,8)
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5.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50051026
PNG
(CHEMBL3309357)
Show SMILES CCOc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C4H7N3O4S/c1-2-10-3-4(7-11-6-3)12(5,8)9/h2H2,1H3,(H2,5,8,9)
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5.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050923
PNG
(CHEMBL3309372)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O6S2/c15-25(21,22)12-8-6-10(7-9-12)13-14(16-23-17(13)18)24(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050914
PNG
(CHEMBL3309367)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1Oc1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(18,19)12-8-6-10(7-9-12)13-14(17-21-16-13)20-11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)
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6.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050922
PNG
(CHEMBL3309371)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O5S2/c15-24(20,21)12-8-6-10(7-9-12)13-14(17-22-16-13)23(18,19)11-4-2-1-3-5-11/h1-9H,(H2,15,20,21)
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6.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050963
PNG
(CHEMBL3309355)
Show SMILES NS(=O)(=O)c1nonc1-c1ccccc1
Show InChI InChI=1S/C8H7N3O3S/c9-15(12,13)8-7(10-14-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
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6.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50051030
PNG
(CHEMBL3309361)
Show SMILES NS(=O)(=O)c1nonc1Oc1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(12,13)8-7(10-15-11-8)14-6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
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6.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50051030
PNG
(CHEMBL3309361)
Show SMILES NS(=O)(=O)c1nonc1Oc1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(12,13)8-7(10-15-11-8)14-6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
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6.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050918
PNG
(CHEMBL3309368)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(Oc2ccccc2)no[n+]1[O-]
Show InChI InChI=1S/C14H11N3O5S/c15-23(19,20)12-8-6-10(7-9-12)13-14(16-22-17(13)18)21-11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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6.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50051025
PNG
(CHEMBL3309356)
Show SMILES COc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-9-2-3(6-10-5-2)11(4,7)8/h1H3,(H2,4,7,8)
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6.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050906
PNG
(CHEMBL3309854)
Show SMILES NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11N3O7S2/c15-26(21,22)12-8-6-10(7-9-12)23-13-14(17(18)24-16-13)25(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)
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6.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050959
PNG
(CHEMBL3309354)
Show SMILES Cc1no[n+]([O-])c1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-2-3(11(4,8)9)6(7)10-5-2/h1H3,(H2,4,8,9)
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050908
PNG
(CHEMBL3309362)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1-c1ccccc1
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)12-8-6-11(7-9-12)14-13(16-20-17-14)10-4-2-1-3-5-10/h1-9H,(H2,15,18,19)
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50051026
PNG
(CHEMBL3309357)
Show SMILES CCOc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C4H7N3O4S/c1-2-10-3-4(7-11-6-3)12(5,8)9/h2H2,1H3,(H2,5,8,9)
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6.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50051026
PNG
(CHEMBL3309357)
Show SMILES CCOc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C4H7N3O4S/c1-2-10-3-4(7-11-6-3)12(5,8)9/h2H2,1H3,(H2,5,8,9)
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6.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50324356
PNG
(3-phenyl-4-sulfamoyl-1,2,5-oxadiazole 2-oxide | CH...)
Show SMILES NS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(13,14)8-7(11(12)15-10-8)6-4-2-1-3-5-6/h1-5H,(H2,9,13,14)
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7.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50051028
PNG
(CHEMBL3309359)
Show SMILES CC(C)COc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C6H11N3O4S/c1-4(2)3-12-5-6(9-13-8-5)14(7,10)11/h4H,3H2,1-2H3,(H2,7,10,11)
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7.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050910
PNG
(CHEMBL3309364)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-11(7-9-12)14-13(16-21-17(14)18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)
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7.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50051030
PNG
(CHEMBL3309361)
Show SMILES NS(=O)(=O)c1nonc1Oc1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(12,13)8-7(10-15-11-8)14-6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
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7.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050958
PNG
(CHEMBL3309353)
Show SMILES Cc1c(no[n+]1[O-])S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-2-3(11(4,8)9)5-10-6(2)7/h1H3,(H2,4,8,9)
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7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050905
PNG
(CHEMBL3309853)
Show SMILES NS(=O)(=O)c1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11N3O6S2/c15-25(20,21)12-8-6-10(7-9-12)22-13-14(17-23-16-13)24(18,19)11-4-2-1-3-5-11/h1-9H,(H2,15,20,21)
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7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50324357
PNG
(4-phenyl-3-sulfamoyl-1,2,5-oxadiazole 2-oxide | CH...)
Show SMILES NS(=O)(=O)c1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(13,14)8-7(10-15-11(8)12)6-4-2-1-3-5-6/h1-5H,(H2,9,13,14)
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7.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50324357
PNG
(4-phenyl-3-sulfamoyl-1,2,5-oxadiazole 2-oxide | CH...)
Show SMILES NS(=O)(=O)c1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(13,14)8-7(10-15-11(8)12)6-4-2-1-3-5-6/h1-5H,(H2,9,13,14)
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7.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050959
PNG
(CHEMBL3309354)
Show SMILES Cc1no[n+]([O-])c1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-2-3(11(4,8)9)6(7)10-5-2/h1H3,(H2,4,8,9)
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7.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050907
PNG
(CHEMBL3309352)
Show SMILES Cc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O3S/c1-2-3(6-9-5-2)10(4,7)8/h1H3,(H2,4,7,8)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050963
PNG
(CHEMBL3309355)
Show SMILES NS(=O)(=O)c1nonc1-c1ccccc1
Show InChI InChI=1S/C8H7N3O3S/c9-15(12,13)8-7(10-14-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50051029
PNG
(CHEMBL3309360)
Show SMILES NS(=O)(=O)c1nonc1OCc1ccccc1
Show InChI InChI=1S/C9H9N3O4S/c10-17(13,14)9-8(11-16-12-9)15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13,14)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050958
PNG
(CHEMBL3309353)
Show SMILES Cc1c(no[n+]1[O-])S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-2-3(11(4,8)9)5-10-6(2)7/h1H3,(H2,4,8,9)
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8.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050909
PNG
(CHEMBL3309363)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-10(7-9-12)13-14(17(18)21-16-13)11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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8.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50051027
PNG
(CHEMBL3309358)
Show SMILES CCCCOc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C6H11N3O4S/c1-2-3-4-12-5-6(9-13-8-5)14(7,10)11/h2-4H2,1H3,(H2,7,10,11)
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8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050907
PNG
(CHEMBL3309352)
Show SMILES Cc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O3S/c1-2-3(6-9-5-2)10(4,7)8/h1H3,(H2,4,7,8)
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8.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050905
PNG
(CHEMBL3309853)
Show SMILES NS(=O)(=O)c1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11N3O6S2/c15-25(20,21)12-8-6-10(7-9-12)22-13-14(17-23-16-13)24(18,19)11-4-2-1-3-5-11/h1-9H,(H2,15,20,21)
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8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050907
PNG
(CHEMBL3309352)
Show SMILES Cc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O3S/c1-2-3(6-9-5-2)10(4,7)8/h1H3,(H2,4,7,8)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050906
PNG
(CHEMBL3309854)
Show SMILES NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11N3O7S2/c15-26(21,22)12-8-6-10(7-9-12)23-13-14(17(18)24-16-13)25(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)
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9.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050905
PNG
(CHEMBL3309853)
Show SMILES NS(=O)(=O)c1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11N3O6S2/c15-25(20,21)12-8-6-10(7-9-12)22-13-14(17-23-16-13)24(18,19)11-4-2-1-3-5-11/h1-9H,(H2,15,20,21)
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9.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50324356
PNG
(3-phenyl-4-sulfamoyl-1,2,5-oxadiazole 2-oxide | CH...)
Show SMILES NS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(13,14)8-7(11(12)15-10-8)6-4-2-1-3-5-6/h1-5H,(H2,9,13,14)
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9.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050959
PNG
(CHEMBL3309354)
Show SMILES Cc1no[n+]([O-])c1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-2-3(11(4,8)9)6(7)10-5-2/h1H3,(H2,4,8,9)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050963
PNG
(CHEMBL3309355)
Show SMILES NS(=O)(=O)c1nonc1-c1ccccc1
Show InChI InChI=1S/C8H7N3O3S/c9-15(12,13)8-7(10-14-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050904
PNG
(CHEMBL3309378)
Show SMILES NS(=O)(=O)c1ccc(OCc2no[n+]([O-])c2C#N)cc1
Show InChI InChI=1S/C10H8N4O5S/c11-5-10-9(13-19-14(10)15)6-18-7-1-3-8(4-2-7)20(12,16)17/h1-4H,6H2,(H2,12,16,17)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050963
PNG
(CHEMBL3309355)
Show SMILES NS(=O)(=O)c1nonc1-c1ccccc1
Show InChI InChI=1S/C8H7N3O3S/c9-15(12,13)8-7(10-14-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050903
PNG
(CHEMBL3309377)
Show SMILES NS(=O)(=O)c1ccc(OCc2nonc2C#N)cc1
Show InChI InChI=1S/C10H8N4O4S/c11-5-9-10(14-18-13-9)6-17-7-1-3-8(4-2-7)19(12,15)16/h1-4H,6H2,(H2,12,15,16)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050958
PNG
(CHEMBL3309353)
Show SMILES Cc1c(no[n+]1[O-])S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-2-3(11(4,8)9)5-10-6(2)7/h1H3,(H2,4,8,9)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50051026
PNG
(CHEMBL3309357)
Show SMILES CCOc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C4H7N3O4S/c1-2-10-3-4(7-11-6-3)12(5,8)9/h2H2,1H3,(H2,5,8,9)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50051025
PNG
(CHEMBL3309356)
Show SMILES COc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-9-2-3(6-10-5-2)11(4,7)8/h1H3,(H2,4,7,8)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50051028
PNG
(CHEMBL3309359)
Show SMILES CC(C)COc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C6H11N3O4S/c1-4(2)3-12-5-6(9-13-8-5)14(7,10)11/h4H,3H2,1-2H3,(H2,7,10,11)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50051029
PNG
(CHEMBL3309360)
Show SMILES NS(=O)(=O)c1nonc1OCc1ccccc1
Show InChI InChI=1S/C9H9N3O4S/c10-17(13,14)9-8(11-16-12-9)15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13,14)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50051030
PNG
(CHEMBL3309361)
Show SMILES NS(=O)(=O)c1nonc1Oc1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(12,13)8-7(10-15-11-8)14-6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50051027
PNG
(CHEMBL3309358)
Show SMILES CCCCOc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C6H11N3O4S/c1-2-3-4-12-5-6(9-13-8-5)14(7,10)11/h2-4H2,1H3,(H2,7,10,11)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50051025
PNG
(CHEMBL3309356)
Show SMILES COc1nonc1S(N)(=O)=O
Show InChI InChI=1S/C3H5N3O4S/c1-9-2-3(6-10-5-2)11(4,7)8/h1H3,(H2,4,7,8)
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26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050901
PNG
(CHEMBL3309375)
Show SMILES NC(=O)c1nonc1COc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O5S/c11-10(15)9-8(13-19-14-9)5-18-6-1-3-7(4-2-6)20(12,16)17/h1-4H,5H2,(H2,11,15)(H2,12,16,17)
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050902
PNG
(CHEMBL3309376)
Show SMILES NC(=O)c1c(COc2ccc(cc2)S(N)(=O)=O)no[n+]1[O-]
Show InChI InChI=1S/C10H10N4O6S/c11-10(15)9-8(13-20-14(9)16)5-19-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,15)(H2,12,17,18)
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050902
PNG
(CHEMBL3309376)
Show SMILES NC(=O)c1c(COc2ccc(cc2)S(N)(=O)=O)no[n+]1[O-]
Show InChI InChI=1S/C10H10N4O6S/c11-10(15)9-8(13-20-14(9)16)5-19-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,15)(H2,12,17,18)
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32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050923
PNG
(CHEMBL3309372)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O6S2/c15-25(21,22)12-8-6-10(7-9-12)13-14(16-23-17(13)18)24(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50324356
PNG
(3-phenyl-4-sulfamoyl-1,2,5-oxadiazole 2-oxide | CH...)
Show SMILES NS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(13,14)8-7(11(12)15-10-8)6-4-2-1-3-5-6/h1-5H,(H2,9,13,14)
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38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50324356
PNG
(3-phenyl-4-sulfamoyl-1,2,5-oxadiazole 2-oxide | CH...)
Show SMILES NS(=O)(=O)c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(13,14)8-7(11(12)15-10-8)6-4-2-1-3-5-6/h1-5H,(H2,9,13,14)
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42n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050953
PNG
(CHEMBL3309374)
Show SMILES NS(=O)(=O)c1ccc(OCc2no[n+]([O-])c2-c2ccccc2)cc1
Show InChI InChI=1S/C15H13N3O5S/c16-24(20,21)13-8-6-12(7-9-13)22-10-14-15(18(19)23-17-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,20,21)
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48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50324357
PNG
(4-phenyl-3-sulfamoyl-1,2,5-oxadiazole 2-oxide | CH...)
Show SMILES NS(=O)(=O)c1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(13,14)8-7(10-15-11(8)12)6-4-2-1-3-5-6/h1-5H,(H2,9,13,14)
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49n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050910
PNG
(CHEMBL3309364)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-11(7-9-12)14-13(16-21-17(14)18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050901
PNG
(CHEMBL3309375)
Show SMILES NC(=O)c1nonc1COc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O5S/c11-10(15)9-8(13-19-14-9)5-18-6-1-3-7(4-2-6)20(12,16)17/h1-4H,5H2,(H2,11,15)(H2,12,16,17)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050903
PNG
(CHEMBL3309377)
Show SMILES NS(=O)(=O)c1ccc(OCc2nonc2C#N)cc1
Show InChI InChI=1S/C10H8N4O4S/c11-5-9-10(14-18-13-9)6-17-7-1-3-8(4-2-7)19(12,15)16/h1-4H,6H2,(H2,12,15,16)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050908
PNG
(CHEMBL3309362)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1-c1ccccc1
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)12-8-6-11(7-9-12)14-13(16-20-17-14)10-4-2-1-3-5-10/h1-9H,(H2,15,18,19)
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050904
PNG
(CHEMBL3309378)
Show SMILES NS(=O)(=O)c1ccc(OCc2no[n+]([O-])c2C#N)cc1
Show InChI InChI=1S/C10H8N4O5S/c11-5-10-9(13-19-14(10)15)6-18-7-1-3-8(4-2-7)20(12,16)17/h1-4H,6H2,(H2,12,16,17)
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53n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050911
PNG
(CHEMBL3309365)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1[N+]([O-])=O
Show InChI InChI=1S/C8H6N4O5S/c9-18(15,16)6-3-1-5(2-4-6)7-8(12(13)14)11-17-10-7/h1-4H,(H2,9,15,16)
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55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050912
PNG
(CHEMBL3309366)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])[N+]([O-])=O
Show InChI InChI=1S/C8H6N4O6S/c9-19(16,17)6-3-1-5(2-4-6)7-8(11(13)14)10-18-12(7)15/h1-4H,(H2,9,16,17)
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55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050909
PNG
(CHEMBL3309363)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-10(7-9-12)13-14(17(18)21-16-13)11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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57n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50324357
PNG
(4-phenyl-3-sulfamoyl-1,2,5-oxadiazole 2-oxide | CH...)
Show SMILES NS(=O)(=O)c1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C8H7N3O4S/c9-16(13,14)8-7(10-15-11(8)12)6-4-2-1-3-5-6/h1-5H,(H2,9,13,14)
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57n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050910
PNG
(CHEMBL3309364)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-11(7-9-12)14-13(16-21-17(14)18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050920
PNG
(CHEMBL3309369)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1Sc1ccccc1
Show InChI InChI=1S/C14H11N3O3S2/c15-22(18,19)12-8-6-10(7-9-12)13-14(17-20-16-13)21-11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050909
PNG
(CHEMBL3309363)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-10(7-9-12)13-14(17(18)21-16-13)11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050908
PNG
(CHEMBL3309362)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1-c1ccccc1
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)12-8-6-11(7-9-12)14-13(16-20-17-14)10-4-2-1-3-5-10/h1-9H,(H2,15,18,19)
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050918
PNG
(CHEMBL3309368)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(Oc2ccccc2)no[n+]1[O-]
Show InChI InChI=1S/C14H11N3O5S/c15-23(19,20)12-8-6-10(7-9-12)13-14(16-22-17(13)18)21-11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050922
PNG
(CHEMBL3309371)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O5S2/c15-24(20,21)12-8-6-10(7-9-12)13-14(17-22-16-13)23(18,19)11-4-2-1-3-5-11/h1-9H,(H2,15,20,21)
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050923
PNG
(CHEMBL3309372)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O6S2/c15-25(21,22)12-8-6-10(7-9-12)13-14(16-23-17(13)18)24(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050925
PNG
(CHEMBL3309373)
Show SMILES NS(=O)(=O)c1ccc(OCc2nonc2-c2ccccc2)cc1
Show InChI InChI=1S/C15H13N3O4S/c16-23(19,20)13-8-6-12(7-9-13)21-10-14-15(18-22-17-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,19,20)
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70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050914
PNG
(CHEMBL3309367)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1Oc1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(18,19)12-8-6-10(7-9-12)13-14(17-21-16-13)20-11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)
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71n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050953
PNG
(CHEMBL3309374)
Show SMILES NS(=O)(=O)c1ccc(OCc2no[n+]([O-])c2-c2ccccc2)cc1
Show InChI InChI=1S/C15H13N3O5S/c16-24(20,21)13-8-6-12(7-9-13)22-10-14-15(18(19)23-17-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,20,21)
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73n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050914
PNG
(CHEMBL3309367)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1Oc1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(18,19)12-8-6-10(7-9-12)13-14(17-21-16-13)20-11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)
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76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050911
PNG
(CHEMBL3309365)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1[N+]([O-])=O
Show InChI InChI=1S/C8H6N4O5S/c9-18(15,16)6-3-1-5(2-4-6)7-8(12(13)14)11-17-10-7/h1-4H,(H2,9,15,16)
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78n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50050912
PNG
(CHEMBL3309366)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])[N+]([O-])=O
Show InChI InChI=1S/C8H6N4O6S/c9-19(16,17)6-3-1-5(2-4-6)7-8(11(13)14)10-18-12(7)15/h1-4H,(H2,9,16,17)
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82n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050903
PNG
(CHEMBL3309377)
Show SMILES NS(=O)(=O)c1ccc(OCc2nonc2C#N)cc1
Show InChI InChI=1S/C10H8N4O4S/c11-5-9-10(14-18-13-9)6-17-7-1-3-8(4-2-7)19(12,15)16/h1-4H,6H2,(H2,12,15,16)
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101n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050920
PNG
(CHEMBL3309369)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1Sc1ccccc1
Show InChI InChI=1S/C14H11N3O3S2/c15-22(18,19)12-8-6-10(7-9-12)13-14(17-20-16-13)21-11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)
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103n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050906
PNG
(CHEMBL3309854)
Show SMILES NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H11N3O7S2/c15-26(21,22)12-8-6-10(7-9-12)23-13-14(17(18)24-16-13)25(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)
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103n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050904
PNG
(CHEMBL3309378)
Show SMILES NS(=O)(=O)c1ccc(OCc2no[n+]([O-])c2C#N)cc1
Show InChI InChI=1S/C10H8N4O5S/c11-5-10-9(13-19-14(10)15)6-18-7-1-3-8(4-2-7)20(12,16)17/h1-4H,6H2,(H2,12,16,17)
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106n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050925
PNG
(CHEMBL3309373)
Show SMILES NS(=O)(=O)c1ccc(OCc2nonc2-c2ccccc2)cc1
Show InChI InChI=1S/C15H13N3O4S/c16-23(19,20)13-8-6-12(7-9-13)21-10-14-15(18-22-17-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,19,20)
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110n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050921
PNG
(CHEMBL3309370)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(Sc2ccccc2)no[n+]1[O-]
Show InChI InChI=1S/C14H11N3O4S2/c15-23(19,20)12-8-6-10(7-9-12)13-14(16-21-17(13)18)22-11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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113n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050902
PNG
(CHEMBL3309376)
Show SMILES NC(=O)c1c(COc2ccc(cc2)S(N)(=O)=O)no[n+]1[O-]
Show InChI InChI=1S/C10H10N4O6S/c11-10(15)9-8(13-20-14(9)16)5-19-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,15)(H2,12,17,18)
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113n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050922
PNG
(CHEMBL3309371)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O5S2/c15-24(20,21)12-8-6-10(7-9-12)13-14(17-22-16-13)23(18,19)11-4-2-1-3-5-11/h1-9H,(H2,15,20,21)
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135n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050901
PNG
(CHEMBL3309375)
Show SMILES NC(=O)c1nonc1COc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O5S/c11-10(15)9-8(13-19-14-9)5-18-6-1-3-7(4-2-6)20(12,16)17/h1-4H,5H2,(H2,11,15)(H2,12,16,17)
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146n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050918
PNG
(CHEMBL3309368)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(Oc2ccccc2)no[n+]1[O-]
Show InChI InChI=1S/C14H11N3O5S/c15-23(19,20)12-8-6-10(7-9-12)13-14(16-22-17(13)18)21-11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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204n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050914
PNG
(CHEMBL3309367)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1Oc1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(18,19)12-8-6-10(7-9-12)13-14(17-21-16-13)20-11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)
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214n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050902
PNG
(CHEMBL3309376)
Show SMILES NC(=O)c1c(COc2ccc(cc2)S(N)(=O)=O)no[n+]1[O-]
Show InChI InChI=1S/C10H10N4O6S/c11-10(15)9-8(13-20-14(9)16)5-19-6-1-3-7(4-2-6)21(12,17)18/h1-4H,5H2,(H2,11,15)(H2,12,17,18)
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229n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050920
PNG
(CHEMBL3309369)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1Sc1ccccc1
Show InChI InChI=1S/C14H11N3O3S2/c15-22(18,19)12-8-6-10(7-9-12)13-14(17-20-16-13)21-11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)
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244n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050921
PNG
(CHEMBL3309370)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(Sc2ccccc2)no[n+]1[O-]
Show InChI InChI=1S/C14H11N3O4S2/c15-23(19,20)12-8-6-10(7-9-12)13-14(16-21-17(13)18)22-11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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262n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050923
PNG
(CHEMBL3309372)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O6S2/c15-25(21,22)12-8-6-10(7-9-12)13-14(16-23-17(13)18)24(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)
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282n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050953
PNG
(CHEMBL3309374)
Show SMILES NS(=O)(=O)c1ccc(OCc2no[n+]([O-])c2-c2ccccc2)cc1
Show InChI InChI=1S/C15H13N3O5S/c16-24(20,21)13-8-6-12(7-9-13)22-10-14-15(18(19)23-17-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,20,21)
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285n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050922
PNG
(CHEMBL3309371)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O5S2/c15-24(20,21)12-8-6-10(7-9-12)13-14(17-22-16-13)23(18,19)11-4-2-1-3-5-11/h1-9H,(H2,15,20,21)
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303n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050901
PNG
(CHEMBL3309375)
Show SMILES NC(=O)c1nonc1COc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O5S/c11-10(15)9-8(13-19-14-9)5-18-6-1-3-7(4-2-6)20(12,16)17/h1-4H,5H2,(H2,11,15)(H2,12,16,17)
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337n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050925
PNG
(CHEMBL3309373)
Show SMILES NS(=O)(=O)c1ccc(OCc2nonc2-c2ccccc2)cc1
Show InChI InChI=1S/C15H13N3O4S/c16-23(19,20)13-8-6-12(7-9-13)21-10-14-15(18-22-17-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,19,20)
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340n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050953
PNG
(CHEMBL3309374)
Show SMILES NS(=O)(=O)c1ccc(OCc2no[n+]([O-])c2-c2ccccc2)cc1
Show InChI InChI=1S/C15H13N3O5S/c16-24(20,21)13-8-6-12(7-9-13)22-10-14-15(18(19)23-17-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,20,21)
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354n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050911
PNG
(CHEMBL3309365)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1[N+]([O-])=O
Show InChI InChI=1S/C8H6N4O5S/c9-18(15,16)6-3-1-5(2-4-6)7-8(12(13)14)11-17-10-7/h1-4H,(H2,9,15,16)
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358n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050925
PNG
(CHEMBL3309373)
Show SMILES NS(=O)(=O)c1ccc(OCc2nonc2-c2ccccc2)cc1
Show InChI InChI=1S/C15H13N3O4S/c16-23(19,20)13-8-6-12(7-9-13)21-10-14-15(18-22-17-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,19,20)
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387n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50050912
PNG
(CHEMBL3309366)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])[N+]([O-])=O
Show InChI InChI=1S/C8H6N4O6S/c9-19(16,17)6-3-1-5(2-4-6)7-8(11(13)14)10-18-12(7)15/h1-4H,(H2,9,16,17)
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479n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050911
PNG
(CHEMBL3309365)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1[N+]([O-])=O
Show InChI InChI=1S/C8H6N4O5S/c9-18(15,16)6-3-1-5(2-4-6)7-8(12(13)14)11-17-10-7/h1-4H,(H2,9,15,16)
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492n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050918
PNG
(CHEMBL3309368)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(Oc2ccccc2)no[n+]1[O-]
Show InChI InChI=1S/C14H11N3O5S/c15-23(19,20)12-8-6-10(7-9-12)13-14(16-22-17(13)18)21-11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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498n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050910
PNG
(CHEMBL3309364)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-11(7-9-12)14-13(16-21-17(14)18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)
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563n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050912
PNG
(CHEMBL3309366)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])[N+]([O-])=O
Show InChI InChI=1S/C8H6N4O6S/c9-19(16,17)6-3-1-5(2-4-6)7-8(11(13)14)10-18-12(7)15/h1-4H,(H2,9,16,17)
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591n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050908
PNG
(CHEMBL3309362)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1-c1ccccc1
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)12-8-6-11(7-9-12)14-13(16-20-17-14)10-4-2-1-3-5-10/h1-9H,(H2,15,18,19)
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620n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50050909
PNG
(CHEMBL3309363)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1no[n+]([O-])c1-c1ccccc1
Show InChI InChI=1S/C14H11N3O4S/c15-22(19,20)12-8-6-10(7-9-12)13-14(17(18)21-16-13)11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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667n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50050921
PNG
(CHEMBL3309370)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(Sc2ccccc2)no[n+]1[O-]
Show InChI InChI=1S/C14H11N3O4S2/c15-23(19,20)12-8-6-10(7-9-12)13-14(16-21-17(13)18)22-11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)
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5.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by CO2 hydration activity based stopped flow assay


Bioorg Med Chem 22: 3913-21 (2014)


Article DOI: 10.1016/j.bmc.2014.06.016
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%