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BDBM50329782 (5R,6R,7S,8R,8aS)-3-(octylimino)hexahydro-1H-thiazolo[3,4-a]pyridine-5,6,7,8-tetraol::CHEMBL1271962

SMILES: CCCCCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12

InChI Key: InChIKey=HXWFEIXEWVGTGU-QKCRKQBWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329782   
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


(Bos taurus)
BDBM50329782
PNG
((5R,6R,7S,8R,8aS)-3-(octylimino)hexahydro-1H-thiaz...)
Show SMILES CCCCCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
Show InChI InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair