BDBM50564234 CHEMBL4783905

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(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)c4cc(cc(c4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)cc2)[C@@H]1O

InChI Key InChIKey=NCWNCLLUJRRPFV-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50564234   

TargetLysosomal acid glucosylceramidase(Human)
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50564234(CHEMBL4783905)
Affinity DataIC50: 1.10E+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
TargetLysosomal acid glucosylceramidase(Human)
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50564234(CHEMBL4783905)
Affinity DataKi:  1.10E+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