BDBM50065258 (2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol::(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol::CHEMBL314772::Fucosidase Inhibitor, 3

SMILES: C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=VYOCYWDJTQRZLC-KCDKBNATSA-N

Data: 10 KI  5 IC50  4 Kd  4 ITC

PDB links: 3 PDB IDs match 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 19 hits for monomerid = 50065258   

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
Alpha-L-fucosidase 1 (Bos taurus)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Ki value against bovine alpha-L-fucosidase				J Med Chem 48: 2036-44 (2005) Article DOI: 10.1021/jm0495881 BindingDB Entry DOI: 10.7270/Q2DF6S0M
					More data for this Ligand-Target Pair
Alpha-L-fucosidase 1 (Bos taurus)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of bovine kidney alpha-L-fucosidase by para-nitrophenolate release assay				Bioorg Med Chem 17: 8020-6 (2009) Article DOI: 10.1016/j.bmc.2009.10.010 BindingDB Entry DOI: 10.7270/Q2FB5307
					More data for this Ligand-Target Pair
Alpha-L-fucosidase I (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibitory activity of the compound was determined against alpha-L-fucosidase in bovine epididymis; Competitive Inhibition type				Bioorg Med Chem Lett 8: 3265-8 (1999) BindingDB Entry DOI: 10.7270/Q24J0D9C
					More data for this Ligand-Target Pair
Alpha-L-fucosidase I (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity (competitive) against alpha-L-fucosidase from bovine kidney				Bioorg Med Chem Lett 5: 2169-2174 (1995) Article DOI: 10.1016/0960-894X(95)00377-6 BindingDB Entry DOI: 10.7270/Q2Z038N8
					More data for this Ligand-Target Pair
Alpha-L-fucosidase I (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibitory activity against alpha-L-fucosidase from bovine epididymus (sigma)				Bioorg Med Chem Lett 3: 2533-2536 (1993) Article DOI: 10.1016/S0960-894X(01)80711-3 BindingDB Entry DOI: 10.7270/Q2BG2PGV
					More data for this Ligand-Target Pair
Alpha-L-fucosidase 2 (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibitory activity against alpha-L-fucosidase from solubilised human neutrophils				Bioorg Med Chem Lett 3: 2533-2536 (1993) Article DOI: 10.1016/S0960-894X(01)80711-3 BindingDB Entry DOI: 10.7270/Q2BG2PGV
					More data for this Ligand-Target Pair
Alpha-L-fucosidase I (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of human liver alpha-L-fucosidase				Bioorg Med Chem Lett 16: 2067-70 (2006) Article DOI: 10.1016/j.bmcl.2006.01.095 BindingDB Entry DOI: 10.7270/Q26Q1WV2
					More data for this Ligand-Target Pair
Alpha-L-fucosidase I (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant against Alpha-Fucosidase				Bioorg Med Chem Lett 2: 33-36 (1992) Article DOI: 10.1016/S0960-894X(00)80649-6 BindingDB Entry DOI: 10.7270/Q2FF3SV0
					More data for this Ligand-Target Pair
Alpha-L-fucosidase I (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Binding affinity against alpha-L-fucosidase in bovine kidney was determined				Bioorg Med Chem Lett 12: 2811-4 (2002) BindingDB Entry DOI: 10.7270/Q2C24WZJ
					More data for this Ligand-Target Pair
Alpha-L-fucosidase I (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by colorimetric assay using the D-glucose oxidase-peroxidase method				J Med Chem 41: 2565-71 (1998) Article DOI: 10.1021/jm970836l BindingDB Entry DOI: 10.7270/Q25D8SHK
					More data for this Ligand-Target Pair
Alpha-L-fucosidase I (Rattus norvegicus)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of rat epididymis alpha-L-fucosidase assessed as inhibition of release of p-nitrophenol by spectrophotometry				Bioorg Med Chem 21: 6565-73 (2013) Article DOI: 10.1016/j.bmc.2013.08.028 BindingDB Entry DOI: 10.7270/Q2G73G5J
					More data for this Ligand-Target Pair
Alpha-L-fucosidase I (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of human lysosome alpha-L-fucosidase using 4-methylumbelliferyl-alpha-L-fucopyranoside by spectrophotometry				Bioorg Med Chem 21: 6565-73 (2013) Article DOI: 10.1016/j.bmc.2013.08.028 BindingDB Entry DOI: 10.7270/Q2G73G5J
					More data for this Ligand-Target Pair
Alpha-L-fucosidase I (Homo sapiens (Human))	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Inhibition of bovine kidney alpha-L-fucosidase				Bioorg Med Chem Lett 12: 2811-4 (2002) BindingDB Entry DOI: 10.7270/Q2C24WZJ
					More data for this Ligand-Target Pair
Alpha-L-fucosidase 1 (Bos taurus)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Haute-Alsace Curated by ChEMBL					Assay Description Inhibition of bovine alpha-L-fucosidase				Bioorg Med Chem Lett 16: 1172-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.100 BindingDB Entry DOI: 10.7270/Q2Q81CNB
					More data for this Ligand-Target Pair
Alpha-fucosidase (Bacteroides thetaiotaomicron)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	372	n/a	n/a	n/a	8.5	37
University of York					Assay Description The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...				Chembiochem 11: 1971-4 (2010) Article DOI: 10.1002/cbic.201000339 BindingDB Entry DOI: 10.7270/Q2N87898
					More data for this Ligand-Target Pair
Alpha-fucosidase (Bacteroides thetaiotaomicron)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	55.1	n/a	n/a	n/a	7.0	37
University of York					Assay Description The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...				Chembiochem 11: 1971-4 (2010) Article DOI: 10.1002/cbic.201000339 BindingDB Entry DOI: 10.7270/Q2N87898
					More data for this Ligand-Target Pair
Alpha-L-fucosidase 1 (Bos taurus)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of bovine kidney alpha-L-fucosidase assessed as inhibition of release of p-nitrophenol by spectrophotometry				Bioorg Med Chem 21: 6565-73 (2013) Article DOI: 10.1016/j.bmc.2013.08.028 BindingDB Entry DOI: 10.7270/Q2G73G5J
					More data for this Ligand-Target Pair
Alpha-fucosidase (Bacteroides thetaiotaomicron)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	14.8	n/a	n/a	n/a	6.0	37
University of York					Assay Description The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...				Chembiochem 11: 1971-4 (2010) Article DOI: 10.1002/cbic.201000339 BindingDB Entry DOI: 10.7270/Q2N87898
					More data for this Ligand-Target Pair
Alpha-fucosidase (Bacteroides thetaiotaomicron)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	6.5	37
University of York					Assay Description The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...				Chembiochem 11: 1971-4 (2010) Article DOI: 10.1002/cbic.201000339 BindingDB Entry DOI: 10.7270/Q2N87898
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 50065258

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Alpha-fucosidase (Bacteroides thetaiotaomicron)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)	GoogleScholar	MMDB PC cid PC sid PDB		-10.7	0.0530	-10.2	n/a	6	-236
University of York					Chembiochem 11: 1971-4 (2010)
Alpha-fucosidase (Bacteroides thetaiotaomicron)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)	GoogleScholar	MMDB PC cid PC sid PDB		-10.0	-0.513	-14.7	n/a	6.5	-236
University of York					Chembiochem 11: 1971-4 (2010)
Alpha-fucosidase (Bacteroides thetaiotaomicron)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)	GoogleScholar	MMDB PC cid PC sid PDB		-10.0	-0.680	-15.6	n/a	6.5	-236
University of York					Chembiochem 11: 1971-4 (2010)
Alpha-fucosidase (Bacteroides thetaiotaomicron)	BDBM50065258 ((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)	GoogleScholar	MMDB PC cid PC sid PDB		-8.84	-0.566	-13.4	n/a	6.5	-236
University of York					Chembiochem 11: 1971-4 (2010)