new BindingDB logo
myBDB logout

BDBM50314543 CHEMBL1088997::N-(4-Aminosulfonyl)benzyl-S-(1-thio-beta-D-glucopyranuronoyl)-sulfonamide

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

InChI Key: InChIKey=LVTDYTBCBYJNAP-YHMTXAQFSA-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 = 50314543   
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 2


(Homo sapiens (Human))
BDBM50314543
PNG
(CHEMBL1088997 | N-(4-Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C13H18N2O10S2/c14-26(21,22)7-3-1-6(2-4-7)5-15-27(23,24)13-10(18)8(16)9(17)11(25-13)12(19)20/h1-4,8-11,13,15-18H,5H2,(H,19,20)(H2,14,21,22)/t8-,9+,10+,11-,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.10n/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 12


(Homo sapiens (Human))
BDBM50314543
PNG
(CHEMBL1088997 | N-(4-Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C13H18N2O10S2/c14-26(21,22)7-3-1-6(2-4-7)5-15-27(23,24)13-10(18)8(16)9(17)11(25-13)12(19)20/h1-4,8-11,13,15-18H,5H2,(H,19,20)(H2,14,21,22)/t8-,9+,10+,11-,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.90n/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 1


(Homo sapiens (Human))
BDBM50314543
PNG
(CHEMBL1088997 | N-(4-Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C13H18N2O10S2/c14-26(21,22)7-3-1-6(2-4-7)5-15-27(23,24)13-10(18)8(16)9(17)11(25-13)12(19)20/h1-4,8-11,13,15-18H,5H2,(H,19,20)(H2,14,21,22)/t8-,9+,10+,11-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
81n/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
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50314543
PNG
(CHEMBL1088997 | N-(4-Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C13H18N2O10S2/c14-26(21,22)7-3-1-6(2-4-7)5-15-27(23,24)13-10(18)8(16)9(17)11(25-13)12(19)20/h1-4,8-11,13,15-18H,5H2,(H,19,20)(H2,14,21,22)/t8-,9+,10+,11-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
97n/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