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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysosomal acid glucosylceramidase' and Ligand = 'BDBM50315250'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50315250
PNG
((2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol | CHEM...)
Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-11-13(17)14(18)12(16)10-15-11/h11-18H,2-10H2,1H3/t11-,12-,13+,14+/m1/s1
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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as p-nitrophenolate accumulation preincubated for 10 mins before p-nitrophenyl-beta-...


Bioorg Med Chem 18: 2645-50 (2010)


Article DOI: 10.1016/j.bmc.2010.02.027
BindingDB Entry DOI: 10.7270/Q24F1QVM
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50315250
PNG
((2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol | CHEM...)
Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-11-13(17)14(18)12(16)10-15-11/h11-18H,2-10H2,1H3/t11-,12-,13+,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Technical University Graz

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-glucocerebrosidase


Bioorg Med Chem Lett 24: 2777-80 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.069
BindingDB Entry DOI: 10.7270/Q2RV0Q8B
More data for this
Ligand-Target Pair