BDBM18357 (2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol::N-Octyl-DNJ

SMILES: CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

InChI Key: InChIKey=VGSQNAQYXKTCLP-XJFOESAGSA-N

Data: 1 KI  8 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 8 hits for monomerid = 18357   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18357 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...) Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	420	-9.04	820	n/a	n/a	n/a	n/a	5.5	37
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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18357 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...) Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	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
					More data for this Ligand-Target Pair
Beta-glucosidase (Homo sapiens (Human))	BDBM18357 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...) Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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
					More data for this Ligand-Target Pair
alpha-glucosidase (Gaa) (Mus musculus (Mouse))	BDBM18357 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...) Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+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
					More data for this Ligand-Target Pair
Beta-galactosidase (Mus musculus)	BDBM18357 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...) Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+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
					More data for this Ligand-Target Pair
Sucrase-isomaltase (Mus musculus)	BDBM18357 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...) Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	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
					More data for this Ligand-Target Pair
alpha-Glucosidase (alpha-Glu) (Homo sapiens (Human))	BDBM18357 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...) Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	4.5	37
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
Ceramide glucosyltransferase (Mus musculus)	BDBM18357 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...) Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+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
					More data for this Ligand-Target Pair