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BDBM50318553 (1R,2S,3r,4R,5S,6s)-6-[2-(1-Nonyl-1H-1,2,3-triazol-4-yl)ethylamino]cyclohexane-1,2,3,4,5-pentaol::CHEMBL1085632

SMILES: CCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1

InChI Key: InChIKey=GJHJPNQJJDDGMK-OXHPVDPFSA-N

Data: 3 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 3 hits for monomerid = 50318553   
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))
BDBM50318553
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Nonyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-11-23-12-13(21-22-23)9-10-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
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PC sid
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Article
PubMed
n/an/a 4.47E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318553
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Nonyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-11-23-12-13(21-22-23)9-10-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 1.10E+4n/an/an/an/a7.4n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50318553
PNG
((1R,2S,3r,4R,5S,6s)-6-[2-(1-Nonyl-1H-1,2,3-triazol...)
Show SMILES CCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C19H36N4O5/c1-2-3-4-5-6-7-8-11-23-12-13(21-22-23)9-10-20-14-15(24)17(26)19(28)18(27)16(14)25/h12,14-20,24-28H,2-11H2,1H3/t14-,15-,16+,17+,18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 4.47E+4n/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair