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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysosomal acid glucosylceramidase' and Ligand = 'BDBM50379102'   
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))
BDBM50379102
PNG
(CHEMBL2012655)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1NCCCCCCCCC |r|
Show InChI InChI=1S/C24H50N2O4/c1-3-5-7-9-11-13-15-17-25-19-20(22(28)24(30)23(29)21(19)27)26-18-16-14-12-10-8-6-4-2/h19-30H,3-18H2,1-2H3/t19-,20+,21-,22-,23+,24+/m0/s1
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Article
PubMed
26n/an/an/an/an/an/a5.2n/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by Lineweaver-Burk plot ...


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))
BDBM50379102
PNG
(CHEMBL2012655)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1NCCCCCCCCC |r|
Show InChI InChI=1S/C24H50N2O4/c1-3-5-7-9-11-13-15-17-25-19-20(22(28)24(30)23(29)21(19)27)26-18-16-14-12-10-8-6-4-2/h19-30H,3-18H2,1-2H3/t19-,20+,21-,22-,23+,24+/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 56n/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))
BDBM50379102
PNG
(CHEMBL2012655)
Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1NCCCCCCCCC |r|
Show InChI InChI=1S/C24H50N2O4/c1-3-5-7-9-11-13-15-17-25-19-20(22(28)24(30)23(29)21(19)27)26-18-16-14-12-10-8-6-4-2/h19-30H,3-18H2,1-2H3/t19-,20+,21-,22-,23+,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 90n/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