BDBM50564238 CHEMBL4791125

SMILES O[C@@H]1CN[C@@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(COCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cnnn4CCOCCOc4ccc(cc4)-c4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)nn3)cc2)[C@@H]1O

InChI Key InChIKey=LNNPBCPMIVSJCP-UHFFFAOYSA-N

Data  1 KI  2 IC50

  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 3 hits for monomerid = 50564238   

TargetLysosomal acid glucosylceramidase(Human)
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50564238(CHEMBL4791125)
Affinity DataKi:  1.60E+3nMAssay Description:Competitive inhibition of human recombinant lysosomal GCase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetLysosomal acid glucosylceramidase(Human)
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50564238(CHEMBL4791125)
Affinity DataIC50: 2.90E+3nMAssay 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
LigandPNGBDBM50564238(CHEMBL4791125)
Affinity DataIC50: 6.72E+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