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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 = 'BDBM285830'   
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))
BDBM285830
PNG
((6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol ...)
Show SMILES CC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
Show InChI InChI=1S/C9H17NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h6-8,10-12H,2-5H2,1H3/t6-,7-,8-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.30n/an/an/an/an/an/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US9796680 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0C36
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM285830
PNG
((6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol ...)
Show SMILES CC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
Show InChI InChI=1S/C9H17NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h6-8,10-12H,2-5H2,1H3/t6-,7-,8-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.30n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)


BindingDB Entry DOI: 10.7270/Q2S184JZ
More data for this
Ligand-Target Pair