SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 333.4
BDBM50335384

Wt: 333.4
BDBM50335390

Wt: 333.4
BDBM50524479

Wt: 333.4
BDBM50524483

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 17 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50335390 (CHEMBL1651630 \| N-Hexoxypentyl-1-deoxynojirimycin) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
University of Napoli Federico II Curated by ChEMBL					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50524479 (CHEMBL4459011) Show SMILES CCCCCCOCCCCCN1CC(O)C(O)C(O)C1CO Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
University of Napoli Federico II Curated by ChEMBL					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50335390 (CHEMBL1651630 \| N-Hexoxypentyl-1-deoxynojirimycin) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50335384 (CHEMBL1651636 \| N-Hexoxypentyl-L-ido-1-deoxynojiri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Mus musculus)	BDBM50335384 (CHEMBL1651636 \| N-Hexoxypentyl-L-ido-1-deoxynojiri...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sucrase-isomaltase (Mus musculus)	BDBM50335390 (CHEMBL1651630 \| N-Hexoxypentyl-1-deoxynojirimycin) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Mus musculus)	BDBM50335390 (CHEMBL1651630 \| N-Hexoxypentyl-1-deoxynojirimycin) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Mus musculus (Mouse))	BDBM50335390 (CHEMBL1651630 \| N-Hexoxypentyl-1-deoxynojirimycin) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50335390 (CHEMBL1651630 \| N-Hexoxypentyl-1-deoxynojirimycin) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
University of Napoli Federico II Curated by ChEMBL					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50524483 (CHEMBL4435540) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
University of Napoli Federico II Curated by ChEMBL					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50335384 (CHEMBL1651636 \| N-Hexoxypentyl-L-ido-1-deoxynojiri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-galactosidase (Mus musculus)	BDBM50335384 (CHEMBL1651636 \| N-Hexoxypentyl-L-ido-1-deoxynojiri...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-galactosidase (Mus musculus)	BDBM50335390 (CHEMBL1651630 \| N-Hexoxypentyl-1-deoxynojirimycin) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50335390 (CHEMBL1651630 \| N-Hexoxypentyl-1-deoxynojirimycin) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+5	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50524483 (CHEMBL4435540) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
University of Napoli Federico II Curated by ChEMBL					More data for this Ligand-Target Pair
Sucrase-isomaltase (Mus musculus)	BDBM50335384 (CHEMBL1651636 \| N-Hexoxypentyl-L-ido-1-deoxynojiri...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Mus musculus (Mouse))	BDBM50335384 (CHEMBL1651636 \| N-Hexoxypentyl-L-ido-1-deoxynojiri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair