BDBM50314554 CHEMBL1091780::N-4-(Aminosulfonyl)phenethyl-S-(2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranosyl)sulfenamide

SMILES CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

InChI Key InChIKey=LOAPLXPIJMQWJM-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50314554   

TargetCarbonic anhydrase 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314554(N-4-(Aminosulfonyl)phenethyl-S-(2,3,4,6-tetra-O-ac...)
Affinity DataKi:  13.3nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314554(N-4-(Aminosulfonyl)phenethyl-S-(2,3,4,6-tetra-O-ac...)
Affinity DataKi:  16.7nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314554(N-4-(Aminosulfonyl)phenethyl-S-(2,3,4,6-tetra-O-ac...)
Affinity DataKi:  107nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314554(N-4-(Aminosulfonyl)phenethyl-S-(2,3,4,6-tetra-O-ac...)
Affinity DataKi:  4.10E+3nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2012
Entry Details Article
PubMed