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BDBM50379104 CHEMBL2012659

SMILES: CCCCCCCCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC

InChI Key: InChIKey=FKYONDAKOXLCSE-WQRAYAPSSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50379104   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50379104
PNG
(CHEMBL2012659)
Show SMILES CCCCCCCCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H48O6/c1-3-5-7-9-11-13-15-17-29-23-21(27)19(25)20(26)22(28)24(23)30-18-16-14-12-10-8-6-4-2/h19-28H,3-18H2,1-2H3/t19-,20-,21+,22+,23-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.93E+4n/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH...


ACS Med Chem Lett 2: 614-619 (2011)


Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50379104
PNG
(CHEMBL2012659)
Show SMILES CCCCCCCCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
Show InChI InChI=1S/C24H48O6/c1-3-5-7-9-11-13-15-17-29-23-21(27)19(25)20(26)22(28)24(23)30-18-16-14-12-10-8-6-4-2/h19-28H,3-18H2,1-2H3/t19-,20-,21+,22+,23-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.44E+5n/an/an/an/a5.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH...


ACS Med Chem Lett 2: 614-619 (2011)


Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C
More data for this
Ligand-Target Pair