BDBM50314546 CHEMBL1093297::N-4-(Aminosulfonyl)phenethyl-S-(2,2',3,3',4',6,6'-hepta-O-acetyl-1-thio-beta-lactosyl)sulfonamide

SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O

InChI Key InChIKey=GBEVGRPYGUOPQM-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 = 50314546   

TargetCarbonic anhydrase 12(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314546(N-4-(Aminosulfonyl)phenethyl-S-(2,2',3,3',4',6,6'-...)
Affinity DataKi:  9.5nMAssay 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 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314546(N-4-(Aminosulfonyl)phenethyl-S-(2,2',3,3',4',6,6'-...)
Affinity DataKi:  56.2nMAssay 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 9(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314546(N-4-(Aminosulfonyl)phenethyl-S-(2,2',3,3',4',6,6'-...)
Affinity DataKi:  97nMAssay 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
LigandPNGBDBM50314546(N-4-(Aminosulfonyl)phenethyl-S-(2,2',3,3',4',6,6'-...)
Affinity DataKi:  3.46E+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