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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 18355   
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 alpha-glucosidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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Article
PubMed
200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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PubMed
<5.00E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II


J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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MMDB
PDB
Article
PubMed
1.16E+5 -5.58 2.70E+5n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
PDB
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KEGG

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Article
PubMed
6.00E+6 -3.15n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Nat Chem Biol 4: 306-12 (2008)


Article DOI: 10.1038/nchembio.81
BindingDB Entry DOI: 10.7270/Q2X34VS6
More data for this
Ligand-Target Pair