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BDBM50335395 CHEMBL1651555::N-Heptyl-L-ido-1-deoxynojirimycin

SMILES: CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO

InChI Key: InChIKey=MBQCNYZEYQQTEE-WUHRBBMRSA-N

Data: 6 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 6 hits for monomerid = 50335395   
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))
BDBM50335395
PNG
(CHEMBL1651555 | N-Heptyl-L-ido-1-deoxynojirimycin)
Show SMILES CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 7.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant GBA1 preincuabated with compound for 30 mins using 4-methylumbelliferyl-B-glucoside substrate by fluorimetric assay


ACS Med Chem Lett 2: 119-123 (2011)


Article DOI: 10.1021/ml100192b
BindingDB Entry DOI: 10.7270/Q21C1X5H
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Mus musculus)
BDBM50335395
PNG
(CHEMBL1651555 | N-Heptyl-L-ido-1-deoxynojirimycin)
Show SMILES CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase in mouse RAW cells preincubated with compound for 15 mins by in-situ enzyme inhibition assay


ACS Med Chem Lett 2: 119-123 (2011)


Article DOI: 10.1021/ml100192b
BindingDB Entry DOI: 10.7270/Q21C1X5H
More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens (Human))
BDBM50335395
PNG
(CHEMBL1651555 | N-Heptyl-L-ido-1-deoxynojirimycin)
Show SMILES CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant GBA2 preincuabated with compound for 30 mins using 4-methylumbelliferyl-B-glucoside substrate by fluorimetric assay


ACS Med Chem Lett 2: 119-123 (2011)


Article DOI: 10.1021/ml100192b
BindingDB Entry DOI: 10.7270/Q21C1X5H
More data for this
Ligand-Target Pair
Beta-galactosidase


(Mus musculus)
BDBM50335395
PNG
(CHEMBL1651555 | N-Heptyl-L-ido-1-deoxynojirimycin)
Show SMILES CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of lactase in mouse intestinal input by glucose release assay


ACS Med Chem Lett 2: 119-123 (2011)


Article DOI: 10.1021/ml100192b
BindingDB Entry DOI: 10.7270/Q21C1X5H
More data for this
Ligand-Target Pair
Sucrase-isomaltase


(Mus musculus)
BDBM50335395
PNG
(CHEMBL1651555 | N-Heptyl-L-ido-1-deoxynojirimycin)
Show SMILES CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of sucrase in mouse intestinal input by glucose release assay


ACS Med Chem Lett 2: 119-123 (2011)


Article DOI: 10.1021/ml100192b
BindingDB Entry DOI: 10.7270/Q21C1X5H
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM50335395
PNG
(CHEMBL1651555 | N-Heptyl-L-ido-1-deoxynojirimycin)
Show SMILES CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11-,12+,13+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of maltase in mouse intestinal input by glucose release assay


ACS Med Chem Lett 2: 119-123 (2011)


Article DOI: 10.1021/ml100192b
BindingDB Entry DOI: 10.7270/Q21C1X5H
More data for this
Ligand-Target Pair