BDBM50299576 (1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-D-glucitol::(2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-sulfamoyltetrahydro-2H-pyran-3-yloxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate::CHEMBL573459

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

InChI Key InChIKey=PRBMNHXZLHBQIF-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50299576   

TargetCarbonic anhydrase 9(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50299576((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Affinity DataKi:  4.03E+3nMAssay Description:Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50299576((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Affinity DataKi:  4.51E+3nMAssay Description:Inhibition of human cloned CA2 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50299576((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Affinity DataKi:  4.60E+3nMAssay Description:Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50299576((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)
Affinity DataKi:  4.68E+3nMAssay Description:Inhibition of human cloned CA1 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed