BDBM50280030 (2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-triol::CHEMBL111326

SMILES: O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=GRCJBMPQQMMCPE-JGWLITMVSA-N

Data: 7 KI

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 7 hits for monomerid = 50280030   

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
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on rice alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on Asp. Wentii beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Neutral alpha-glucosidase AB (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 7.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on Asp. Wentii beta Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50280030 ((2S,3R,4R,5S)-2-Fluoromethyl-piperidine-3,4,5-trio...) Show SMILES O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H12FNO3/c7-1-3-5(10)6(11)4(9)2-8-3/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive Inhibition constant of the compound was determined on yeast alpha Glucosidase at pH 5.0				Bioorg Med Chem Lett 2: 27-32 (1992) Article DOI: 10.1016/S0960-894X(00)80648-4 BindingDB Entry DOI: 10.7270/Q2TH8MKB
					More data for this Ligand-Target Pair