Compile Data Set for Download or QSAR

Found 172 hits Enz. Inhib. hit(s) with Target = 'Alpha-galactosidase'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50260444 (CHEMBL4073111) Show SMILES OCC1(CO)NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-6(3-9)5(11)4(10)1-7-6/h4-5,7-11H,1-3H2/t4-,5-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Savitribai Phule Pune University (Formerly University of Pune) Curated by ChEMBL					Assay Description Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...				Bioorg Med Chem 25: 5148-5159 (2017) Article DOI: 10.1016/j.bmc.2017.07.026 BindingDB Entry DOI: 10.7270/Q23T9KP7
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Graz Curated by ChEMBL					Assay Description Inhibition of alpha-galactosidase green coffee beans				Bioorg Med Chem Lett 20: 4077-9 (2010) Article DOI: 10.1016/j.bmcl.2010.05.084 BindingDB Entry DOI: 10.7270/Q24Q7VZN
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50260443 (CHEMBL4096086) Show SMILES OC[C@@]1(NC[C@@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO5/c8-2-6(5(11)12)4(10)3(9)1-7-6/h3-4,7-10H,1-2H2,(H,11,12)/t3-,4-,6+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Savitribai Phule Pune University (Formerly University of Pune) Curated by ChEMBL					Assay Description Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...				Bioorg Med Chem 25: 5148-5159 (2017) Article DOI: 10.1016/j.bmc.2017.07.026 BindingDB Entry DOI: 10.7270/Q23T9KP7
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50564233 (CHEMBL4792854) Show SMILES O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)c4cc(cc(c4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)cc2)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112173 BindingDB Entry DOI: 10.7270/Q2H998X6
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50241865 (2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...) Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Competitive inhibition of human lysosome alpha-galactosidase by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 3790-4 (2010) Article DOI: 10.1016/j.bmc.2010.04.048 BindingDB Entry DOI: 10.7270/Q2XK8FQP
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50321618 (CHEMBL1172470 | N-(N'-Biotinylaminoethyl)-aminocar...) Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCC(=O)NCCNC(=O)CCCCC1SCC2NC(=O)NC12 |r| Show InChI InChI=1S/C24H43N5O7S/c30-13-16-22(34)23(35)17(31)12-29(16)11-5-1-2-7-19(32)25-9-10-26-20(33)8-4-3-6-18-21-15(14-37-18)27-24(36)28-21/h15-18,21-23,30-31,34-35H,1-14H2,(H,25,32)(H,26,33)(H2,27,28,36)/t15?,16-,17+,18?,21?,22+,23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Graz Curated by ChEMBL					Assay Description Inhibition of alpha-galactosidase green coffee beans				Bioorg Med Chem Lett 20: 4077-9 (2010) Article DOI: 10.1016/j.bmcl.2010.05.084 BindingDB Entry DOI: 10.7270/Q24Q7VZN
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50182795 (5-(dimethylamino)-N-(6-((2R,3S,4R,5S)-3,4,5-trihyd...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO Show InChI InChI=1S/C24H37N3O6S/c1-26(2)19-11-7-10-18-17(19)9-8-12-22(18)34(32,33)25-13-5-3-4-6-14-27-15-21(29)24(31)23(30)20(27)16-28/h7-12,20-21,23-25,28-31H,3-6,13-16H2,1-2H3/t20-,21+,23+,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry				Bioorg Med Chem Lett 21: 6872-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.012 BindingDB Entry DOI: 10.7270/Q24B31RQ
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50564237 (CHEMBL4793095) Show SMILES O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)CCCCC(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)cc2)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112173 BindingDB Entry DOI: 10.7270/Q2H998X6
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50375511 (CHEMBL406973) Show SMILES OC[C@@H]1NC[C@H](O)[C@H]1O Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Seville Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase using o-nitrophenyl alpha-D-galactopyranoside after 10 to 30 mins by spectrophotometric method				Eur J Med Chem 121: 880-891 (2016) Article DOI: 10.1016/j.ejmech.2015.08.038 BindingDB Entry DOI: 10.7270/Q2FT8P07
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50234559 (CHEMBL4081664) Show SMILES OC[C@H]1N[C@H](CNC(=O)CCCCC2CCCCC2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H32N2O4/c20-11-14-17(23)16(22)13(19-14)10-18-15(21)9-5-4-8-12-6-2-1-3-7-12/h12-14,16-17,19-20,22-23H,1-11H2,(H,18,21)/t13-,14-,16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cheng-Kung University Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human alpha GAL-A using varying levels of 4-methylumbelliferyl alpha-D-galactopyranoside substrate at pH 7 ...				Eur J Med Chem 126: 1-6 (2017) Article DOI: 10.1016/j.ejmech.2016.10.004 BindingDB Entry DOI: 10.7270/Q2KP84DV
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50520994 (CHEMBL4529797) Show SMILES OC[C@H]1NC[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H15NO5/c9-2-3-5(11)7(13)6(12)4(10)1-8-3/h3-13H,1-2H2/t3-,4+,5-,6+,7+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase				Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 BindingDB Entry DOI: 10.7270/Q2154MGW
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50356096 (CHEMBL1911831) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C30H48N4O7S/c1-33(2)24-14-10-13-23-22(24)12-11-15-27(23)42(40,41)32-18-8-4-3-7-17-31-28(37)16-6-5-9-19-34-20-26(36)30(39)29(38)25(34)21-35/h10-15,25-26,29-30,32,35-36,38-39H,3-9,16-21H2,1-2H3,(H,31,37)/t25-,26+,29+,30-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry				Bioorg Med Chem Lett 21: 6872-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.012 BindingDB Entry DOI: 10.7270/Q24B31RQ
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50290908 (CHEMBL4160428) Show SMILES O[C@H]1CN[C@H](CNC(=O)\C=C\c2cccc(Br)c2)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H19BrN2O4/c16-10-3-1-2-9(6-10)4-5-13(20)18-7-11-14(21)15(22)12(19)8-17-11/h1-6,11-12,14-15,17,19,21-22H,7-8H2,(H,18,20)/b5-4+/t11-,12+,14+,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Yang-Ming University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant alpha-galactosidase A using 4-MU-alpha-d-galactopyranoside as substrate by Lineweaver-Burk plot method				Eur J Med Chem 144: 626-634 (2018) Article DOI: 10.1016/j.ejmech.2017.12.036 BindingDB Entry DOI: 10.7270/Q2736TG9
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50564249 (CHEMBL4789325) Show SMILES O[C@@H]1CN[C@H](Cn2cc(CCCn3cc(COCC(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)c4cc(cc(c4)C(=O)NC(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)C(=O)NC(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)nn2)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Non-competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112173 BindingDB Entry DOI: 10.7270/Q2H998X6
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50564236 (CHEMBL4782789) Show SMILES O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(COCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cnnn4CCOCCOc4ccc(cc4)-c4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)nn3)cc2)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112173 BindingDB Entry DOI: 10.7270/Q2H998X6
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50234559 (CHEMBL4081664) Show SMILES OC[C@H]1N[C@H](CNC(=O)CCCCC2CCCCC2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H32N2O4/c20-11-14-17(23)16(22)13(19-14)10-18-15(21)9-5-4-8-12-6-2-1-3-7-12/h12-14,16-17,19-20,22-23H,1-11H2,(H,18,21)/t13-,14-,16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cheng-Kung University Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human alpha GAL-A using varying levels of 4-methylumbelliferyl alpha-D-galactopyranoside substrate at pH 4....				Eur J Med Chem 126: 1-6 (2017) Article DOI: 10.1016/j.ejmech.2016.10.004 BindingDB Entry DOI: 10.7270/Q2KP84DV
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50564235 (CHEMBL4793871) Show SMILES NC(COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112173 BindingDB Entry DOI: 10.7270/Q2H998X6
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Compound tested for inhibition of alpha-galactosidase from Aspergillus niger				Bioorg Med Chem Lett 14: 73-5 (2003) BindingDB Entry DOI: 10.7270/Q2JM2925
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50564251 (CHEMBL4781544) Show SMILES O[C@@H]1CN[C@H](Cn2cc(CCCn3cc(COCC(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)CCCCC(=O)NC(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)nn2)[C@@H]1O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Non-competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112173 BindingDB Entry DOI: 10.7270/Q2H998X6
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50437446 (CHEMBL2409341) Show SMILES O[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of coffee bean alpha-galactosidase				Bioorg Med Chem 21: 4803-12 (2013) Article DOI: 10.1016/j.bmc.2013.03.035 BindingDB Entry DOI: 10.7270/Q2GQ7053
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50287006 (Azepane-3,4,5,6-tetraol | CHEMBL13922) Show SMILES O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article	6.70E+4	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 inhibition of alpha-galactosidase from green coffee beans.				Bioorg Med Chem Lett 6: 1117-1122 (1996) Article DOI: 10.1016/0960-894X(96)00183-7 BindingDB Entry DOI: 10.7270/Q2M32VQR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50456585 (CHEMBL4218664) Show SMILES COc1ccc(cc1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C14H18N4O3/c1-21-10-4-2-9(3-5-10)11-7-18(17-16-11)8-12-14(20)13(19)6-15-12/h2-5,7,12-15,19-20H,6,8H2,1H3/t12-,13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112173 BindingDB Entry DOI: 10.7270/Q2H998X6
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50236278 (CHEMBL4077472) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C18H24F9N3O5S/c19-15(20,16(21,22)17(23,24)18(25,26)27)4-3-9(31)28-5-1-2-6-29-14(36)30-8-7-35-13(30)12(34)11(33)10(8)32/h8,10-13,32-34H,1-7H2,(H,28,31)(H,29,36)/t8-,10-,11+,12-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50236280 (CHEMBL4100971) Show SMILES [H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12| Show InChI InChI=1S/C20H24F13N3O5S/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)4-3-9(37)34-5-1-2-6-35-14(42)36-8-7-41-13(36)12(40)11(39)10(8)38/h8,10-13,38-40H,1-7H2,(H,34,37)(H,35,42)/t8-,10-,11+,12-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry				J Med Chem 60: 1829-1842 (2017) Article DOI: 10.1021/acs.jmedchem.6b01550 BindingDB Entry DOI: 10.7270/Q2K939S5
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica)	BDBM50185229 ((2R,3S,4R,6R)-6-heptyl-2-(hydroxymethyl)piperidine...) Show SMILES CCCCCCC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)N1 Show InChI InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-10-8-12(16)13(17)11(9-15)14-10/h10-17H,2-9H2,1H3/t10-,11-,12-,13+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of green coffee alpha galactosidase				Bioorg Med Chem Lett 16: 3262-7 (2006) Article DOI: 10.1016/j.bmcl.2006.03.035 BindingDB Entry DOI: 10.7270/Q23F4P7Z
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50137351 (2-(R)-Amino-3-(3,4,5,6-tetrahydroxy-tetrahydro-pyr...) Show SMILES C[C@@H](OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O)[C@H](N)C(O)=O Show InChI InChI=1S/C10H19NO8/c1-3(5(11)9(15)16)18-2-4-6(12)7(13)8(14)10(17)19-4/h3-8,10,12-14,17H,2,11H2,1H3,(H,15,16)/t3-,4?,5+,6?,7?,8?,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Compound tested for inhibition of alpha-galactosidase from Aspergillus niger				Bioorg Med Chem Lett 14: 73-5 (2003) BindingDB Entry DOI: 10.7270/Q2JM2925
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50260445 (CHEMBL4064761) Show SMILES OC[C@@]1(NC[C@H](F)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H10FNO4/c7-3-1-8-6(2-9,4(3)10)5(11)12/h3-4,8-10H,1-2H2,(H,11,12)/t3-,4+,6-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.64E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Savitribai Phule Pune University (Formerly University of Pune) Curated by ChEMBL					Assay Description Inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addition by fluor...				Bioorg Med Chem 25: 5148-5159 (2017) Article DOI: 10.1016/j.bmc.2017.07.026 BindingDB Entry DOI: 10.7270/Q23T9KP7
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50137350 (2-Amino-3-(3,4,5,6-tetrahydroxy-tetrahydro-pyran-2...) Show SMILES N[C@@H](COC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O)C(O)=O Show InChI InChI=1S/C9H17NO8/c10-3(8(14)15)1-17-2-4-5(11)6(12)7(13)9(16)18-4/h3-7,9,11-13,16H,1-2,10H2,(H,14,15)/t3-,4?,5?,6?,7?,9?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Compound tested for inhibition of alpha-galactosidase from Aspergillus niger				Bioorg Med Chem Lett 14: 73-5 (2003) BindingDB Entry DOI: 10.7270/Q2JM2925
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica)	BDBM50185230 ((2R,3S,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-...) Show SMILES CC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)N1 Show InChI InChI=1S/C8H17NO3/c1-2-5-3-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.21E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of green coffee alpha galactosidase				Bioorg Med Chem Lett 16: 3262-7 (2006) Article DOI: 10.1016/j.bmcl.2006.03.035 BindingDB Entry DOI: 10.7270/Q23F4P7Z
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica)	BDBM50186733 (CHEMBL208152 | L-1,4,6-trideoxy-4,4-difluoronojiri...) Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of green coffee beans alpha galactosidase at pH 6.8				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica)	BDBM50186732 (CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...) Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of green coffee beans alpha galactosidase at pH 6.8				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica)	BDBM50186734 (CHEMBL207910 | D-1,4-dideoxy-4,4-difluoronojirimyc...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of green coffee beans alpha galactosidase at pH 6.8				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica)	BDBM50186736 (CHEMBL380311 | L-1,4-dideoxy-4,4-difluorogulonojir...) Show SMILES OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of green coffee beans alpha galactosidase at pH 6.8				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica)	BDBM50186735 (CHEMBL208021 | D-1,4-dideoxy-4,4-difluoromannonoji...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F Show InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of green coffee beans alpha galactosidase at pH 6.8				J Med Chem 49: 2989-97 (2006) Article DOI: 10.1021/jm060066q BindingDB Entry DOI: 10.7270/Q29P318F
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50150472 (CHEMBL3770736) Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C10H22N2O3/c11-4-2-1-3-8-7(6-13)10(15)9(14)5-12-8/h7-10,12-15H,1-6,11H2/t7-,8+,9+,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50150471 (CHEMBL3770764) Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50150470 (CHEMBL3771185) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM113762 (1-Deoxygalactonojirimycin (DGJ) | 2-(hydroxymethyl...) Show SMILES OCC1NCC(O)C(O)C1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	7.0	n/a
Tottori University , Yonago 683-8503, Japan					Assay Description For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...				ACS Chem Biol 9: 1460-9 (2014) Article DOI: 10.1021/cb500143h BindingDB Entry DOI: 10.7270/Q2XS5T16
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM113758 (DGJ-pMe SPhT) Show SMILES CSc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1 |r| Show InChI InChI=1S/C14H20N2O4S2/c1-22-9-4-2-8(3-5-9)15-14(21)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,21)/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	n/a
Tottori University , Yonago 683-8503, Japan					Assay Description For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...				ACS Chem Biol 9: 1460-9 (2014) Article DOI: 10.1021/cb500143h BindingDB Entry DOI: 10.7270/Q2XS5T16
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	6.5	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release at pH 6.5 by spectrometric analysis				Bioorg Med Chem 18: 3790-4 (2010) Article DOI: 10.1016/j.bmc.2010.04.048 BindingDB Entry DOI: 10.7270/Q2XK8FQP
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM113762 (1-Deoxygalactonojirimycin (DGJ) | 2-(hydroxymethyl...) Show SMILES OCC1NCC(O)C(O)C1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	5.0	n/a
Tottori University , Yonago 683-8503, Japan					Assay Description For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...				ACS Chem Biol 9: 1460-9 (2014) Article DOI: 10.1021/cb500143h BindingDB Entry DOI: 10.7270/Q2XS5T16
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM113758 (DGJ-pMe SPhT) Show SMILES CSc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1 |r| Show InChI InChI=1S/C14H20N2O4S2/c1-22-9-4-2-8(3-5-9)15-14(21)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,21)/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	5.0	n/a
Tottori University , Yonago 683-8503, Japan					Assay Description For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...				ACS Chem Biol 9: 1460-9 (2014) Article DOI: 10.1021/cb500143h BindingDB Entry DOI: 10.7270/Q2XS5T16
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
National Cheng-Kung University Curated by ChEMBL					Assay Description Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluorescence a...				Eur J Med Chem 126: 1-6 (2017) Article DOI: 10.1016/j.ejmech.2016.10.004 BindingDB Entry DOI: 10.7270/Q2KP84DV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50260444 (CHEMBL4073111) Show SMILES OCC1(CO)NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-6(3-9)5(11)4(10)1-7-6/h4-5,7-11H,1-3H2/t4-,5-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Savitribai Phule Pune University (Formerly University of Pune) Curated by ChEMBL					Assay Description Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...				Bioorg Med Chem 25: 5148-5159 (2017) Article DOI: 10.1016/j.bmc.2017.07.026 BindingDB Entry DOI: 10.7270/Q23T9KP7
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM113757 (DGJ-pMe OPhT) Show SMILES COc1ccc(NC(=S)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2CO)cc1 |r| Show InChI InChI=1S/C14H20N2O5S/c1-21-9-4-2-8(3-5-9)15-14(22)16-6-11(18)13(20)12(19)10(16)7-17/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,22)/t10-,11+,12+,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.0	n/a
Tottori University , Yonago 683-8503, Japan					Assay Description For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...				ACS Chem Biol 9: 1460-9 (2014) Article DOI: 10.1021/cb500143h BindingDB Entry DOI: 10.7270/Q2XS5T16
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
National Cheng-Kung University Curated by ChEMBL					Assay Description Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-galactopyranoside as substrate at pH 4.6 after 15 mins by fluorescence...				Eur J Med Chem 126: 1-6 (2017) Article DOI: 10.1016/j.ejmech.2016.10.004 BindingDB Entry DOI: 10.7270/Q2KP84DV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-galactosidase A (Homo sapiens (Human))	BDBM113759 (DGJ-pF PhT) Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1C(=S)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C13H17FN2O4S/c14-7-1-3-8(4-2-7)15-13(21)16-5-10(18)12(20)11(19)9(16)6-17/h1-4,9-12,17-20H,5-6H2,(H,15,21)/t9-,10+,11+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	7.0	n/a
Tottori University , Yonago 683-8503, Japan					Assay Description For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU α-ᴅ-galactopyranoside and 0.1 M N-acetyl-J...				ACS Chem Biol 9: 1460-9 (2014) Article DOI: 10.1021/cb500143h BindingDB Entry DOI: 10.7270/Q2XS5T16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50099009 ((3S,4S,5R)-2-Aminomethyl-5-hydroxymethyl-pyrrolidi...) Show SMILES NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4-,5?,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	7.0	n/a
National Cheng-Kung University Curated by ChEMBL					Assay Description Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...				Eur J Med Chem 123: 14-20 (2016) Article DOI: 10.1016/j.ejmech.2016.07.025 BindingDB Entry DOI: 10.7270/Q2RB76KN
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	70	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-galactosidase assessed as p-nitrophenol release by spectrometric analysis				Bioorg Med Chem 18: 3790-4 (2010) Article DOI: 10.1016/j.bmc.2010.04.048 BindingDB Entry DOI: 10.7270/Q2XK8FQP
					More data for this Ligand-Target Pair				3D Structure (crystal)

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