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BDBM50314539 CHEMBL1091806::N-(4-Aminosulfonyl)benzyl-S-(1-thio-beta-D-glucopyranosyl)sulfonamide

SMILES: NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=GQMYXUSHBXLGED-LBELIVKGSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50314539   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50314539
PNG
(CHEMBL1091806 | N-(4-Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H20N2O9S2/c14-25(20,21)8-3-1-7(2-4-8)5-15-26(22,23)13-12(19)11(18)10(17)9(6-16)24-13/h1-4,9-13,15-19H,5-6H2,(H2,14,20,21)/t9-,10-,11+,12-,13+/m1/s1
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PC sid
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8.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50314539
PNG
(CHEMBL1091806 | N-(4-Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H20N2O9S2/c14-25(20,21)8-3-1-7(2-4-8)5-15-26(22,23)13-12(19)11(18)10(17)9(6-16)24-13/h1-4,9-13,15-19H,5-6H2,(H2,14,20,21)/t9-,10-,11+,12-,13+/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50314539
PNG
(CHEMBL1091806 | N-(4-Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H20N2O9S2/c14-25(20,21)8-3-1-7(2-4-8)5-15-26(22,23)13-12(19)11(18)10(17)9(6-16)24-13/h1-4,9-13,15-19H,5-6H2,(H2,14,20,21)/t9-,10-,11+,12-,13+/m1/s1
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95n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50314539
PNG
(CHEMBL1091806 | N-(4-Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C13H20N2O9S2/c14-25(20,21)8-3-1-7(2-4-8)5-15-26(22,23)13-12(19)11(18)10(17)9(6-16)24-13/h1-4,9-13,15-19H,5-6H2,(H2,14,20,21)/t9-,10-,11+,12-,13+/m1/s1
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102n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair