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BDBM285822 (6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octane-6,7-diol::US10081601, Example 4::US9796680, Example 4

SMILES: O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O

InChI Key: InChIKey=HNWFXDPDLGNHIM-SRQIZXRXSA-N

Data: 2 KI  2 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 4 hits for monomerid = 285822   
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))
BDBM285822
PNG
((6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octan...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O |r|
Show InChI InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
8n/an/an/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
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM285822
PNG
((6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octan...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O |r|
Show InChI InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
8n/an/an/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))
BDBM285822
PNG
((6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octan...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O |r|
Show InChI InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1
PDB
MMDB

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PC cid
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US Patent
n/an/a 6.5n/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))
BDBM285822
PNG
((6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octan...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O |r|
Show InChI InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.5n/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