BDBM50564242 CHEMBL4795488

SMILES O[C@@H]1CN[C@@H](Cn2cc(CCCn3cc(COCC(COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)CCCCC(=O)NC(COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)nn2)[C@@H]1O

InChI Key InChIKey=HKHNHXVPPORJPS-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 50564242   

TargetLysosomal acid glucosylceramidase(Human)
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50564242(CHEMBL4795488)
Affinity DataIC50: 3.33E+5nMAssay Description:Inhibition of human recombinant lysosomal GCase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins followed by s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetAlpha-galactosidase A(Human)
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50564242(CHEMBL4795488)
Affinity DataIC50: 4.83E+5nMAssay Description:Inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 mins followe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed