BDBM50314545 CHEMBL1092714::N-4-(Aminosulfonyl)phenethyl-S-(2,2',3,3',4',6,6'-hepta-O-acetyl-1-thio-beta-lactosyl)sulfenamide

SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@@H](SNCCc3ccc(cc3)S(N)(=O)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

InChI Key InChIKey=QHBKLUUOXQAXFY-MEVVGGRJSA-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 = 50314545   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314545(CHEMBL1092714 | N-4-(Aminosulfonyl)phenethyl-S-(2,...)
Affinity DataKi:  8.70nMAssay Description:Inhibition of human recombinant CA12 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314545(CHEMBL1092714 | N-4-(Aminosulfonyl)phenethyl-S-(2,...)
Affinity DataKi:  12nMAssay Description:Inhibition of human recombinant CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314545(CHEMBL1092714 | N-4-(Aminosulfonyl)phenethyl-S-(2,...)
Affinity DataKi:  97nMAssay Description:Inhibition of human recombinant CA9 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Griffith University

Curated by ChEMBL
LigandPNGBDBM50314545(CHEMBL1092714 | N-4-(Aminosulfonyl)phenethyl-S-(2,...)
Affinity DataKi:  8.04E+3nMAssay Description:Inhibition of human recombinant CA1 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed