Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'yun' and Initial = 'wy'   

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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438750 (CHEMBL2414884) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C20H26F6N2O5/c21-19(22,23)12-5-11(6-13(8-12)20(24,25)26)7-16(31)27-3-1-2-4-28-9-15(30)18(33)17(32)14(28)10-29/h5-6,8,14-15,17-18,29-30,32-33H,1-4,7,9-10H2,(H,27,31)/t14-,15+,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438754 (CHEMBL2414880) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C25H32N2O5/c28-15-21-24(31)25(32)22(29)14-27(21)12-6-5-11-26-23(30)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24-25,28-29,31-32H,5-6,11-15H2,(H,26,30)/t21-,22+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438752 (CHEMBL2414882) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c34-22-26-29(37)30(38)27(35)21-33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27+,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438753 (CHEMBL2414881) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)C1CCc2ccccc2C1 |r| Show InChI InChI=1S/C21H32N2O5/c24-13-17-19(26)20(27)18(25)12-23(17)10-4-3-9-22-21(28)16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-6,16-20,24-27H,3-4,7-13H2,(H,22,28)/t16?,17-,18+,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438748 (CHEMBL2414879) Show SMILES COc1ccc2CCC(CC(=O)NCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c2c1 |r| Show InChI InChI=1S/C22H34N2O6/c1-30-16-7-6-14-4-5-15(17(14)11-16)10-20(27)23-8-2-3-9-24-12-19(26)22(29)21(28)18(24)13-25/h6-7,11,15,18-19,21-22,25-26,28-29H,2-5,8-10,12-13H2,1H3,(H,23,27)/t15?,18-,19+,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Non-competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18358 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...) Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438751 (CHEMBL2414883) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)COc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H26Cl2N2O6/c19-12-4-3-11(7-13(12)20)28-10-16(25)21-5-1-2-6-22-8-15(24)18(27)17(26)14(22)9-23/h3-4,7,14-15,17-18,23-24,26-27H,1-2,5-6,8-10H2,(H,21,25)/t14-,15+,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438749 (CHEMBL2414888) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c34-21-26-29(37)30(38)27(22-35)33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27-,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					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))	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 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))	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))	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	670	n/a	n/a	n/a	n/a	4.6	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 4.6 after 10 mins by fluore...				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))	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	n/a	n/a	750	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))	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	n/a	n/a	750	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
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	n/a	n/a	1.00E+3	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
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	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	4.6	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 4.6 after 10 mins by fluore...				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))	BDBM50234560 (CHEMBL4069007) Show SMILES OC[C@H]1N[C@H](CNC(=O)\C=C\c2ccc(cc2)C(F)(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H19F3N2O4/c17-16(18,19)10-4-1-9(2-5-10)3-6-13(23)20-7-11-14(24)15(25)12(8-22)21-11/h1-6,11-12,14-15,21-22,24-25H,7-8H2,(H,20,23)/b6-3+/t11-,12-,14-,15+/m1/s1	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	1.10E+3	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
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	n/a	n/a	2.10E+3	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
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50234561 (CHEMBL4090087) Show SMILES COc1ccc(Br)cc1\C=C\C(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H21BrN2O5/c1-24-13-4-3-10(17)6-9(13)2-5-14(21)18-7-11-15(22)16(23)12(8-20)19-11/h2-6,11-12,15-16,19-20,22-23H,7-8H2,1H3,(H,18,21)/b5-2+/t11-,12-,15-,16+/m1/s1	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	3.00E+3	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
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50234560 (CHEMBL4069007) Show SMILES OC[C@H]1N[C@H](CNC(=O)\C=C\c2ccc(cc2)C(F)(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H19F3N2O4/c17-16(18,19)10-4-1-9(2-5-10)3-6-13(23)20-7-11-14(24)15(25)12(8-22)21-11/h1-6,11-12,14-15,21-22,24-25H,7-8H2,(H,20,23)/b6-3+/t11-,12-,14-,15+/m1/s1	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	5.00E+3	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
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50234563 (CHEMBL4072729) Show SMILES COc1cc(OC)c(OC)cc1CCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H28N2O7/c1-25-13-7-15(27-3)14(26-2)6-10(13)4-5-16(22)19-8-11-17(23)18(24)12(9-21)20-11/h6-7,11-12,17-18,20-21,23-24H,4-5,8-9H2,1-3H3,(H,19,22)/t11-,12-,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.70E+3	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
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50204611 (CHEMBL1289018 | D-15) Show SMILES OC[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5+/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	n/a	n/a	9.50E+3	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))	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	n/a	n/a	1.04E+4	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
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50204610 (CHEMBL3908900) Show SMILES NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O |r| 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-/m0/s1	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	1.06E+4	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))	BDBM50234565 (CHEMBL4093453) Show SMILES COc1cccc(CCC(=O)NC[C@H]2N[C@H](CO)[C@H](O)[C@@H]2O)c1 |r| Show InChI InChI=1S/C16H24N2O5/c1-23-11-4-2-3-10(7-11)5-6-14(20)17-8-12-15(21)16(22)13(9-19)18-12/h2-4,7,12-13,15-16,18-19,21-22H,5-6,8-9H2,1H3,(H,17,20)/t12-,13-,15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	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
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50204609 (CHEMBL3985941) Show SMILES NC[C@H]1N[C@@H](CO)[C@H](O)[C@@H]1O |r| 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 UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	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))	BDBM50234565 (CHEMBL4093453) Show SMILES COc1cccc(CCC(=O)NC[C@H]2N[C@H](CO)[C@H](O)[C@@H]2O)c1 |r| Show InChI InChI=1S/C16H24N2O5/c1-23-11-4-2-3-10(7-11)5-6-14(20)17-8-12-15(21)16(22)13(9-19)18-12/h2-4,7,12-13,15-16,18-19,21-22H,5-6,8-9H2,1H3,(H,17,20)/t12-,13-,15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.91E+4	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
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50204613 (CHEMBL3929052) Show SMILES CC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H16N2O4/c1-4(12)9-2-5-7(13)8(14)6(3-11)10-5/h5-8,10-11,13-14H,2-3H2,1H3,(H,9,12)/t5-,6-,7-,8+/m1/s1	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	2.21E+4	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))	BDBM50234563 (CHEMBL4072729) Show SMILES COc1cc(OC)c(OC)cc1CCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H28N2O7/c1-25-13-7-15(27-3)14(26-2)6-10(13)4-5-16(22)19-8-11-17(23)18(24)12(9-21)20-11/h6-7,11-12,17-18,20-21,23-24H,4-5,8-9H2,1-3H3,(H,19,22)/t11-,12-,17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.04E+4	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
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50234561 (CHEMBL4090087) Show SMILES COc1ccc(Br)cc1\C=C\C(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H21BrN2O5/c1-24-13-4-3-10(17)6-9(13)2-5-14(21)18-7-11-15(22)16(23)12(8-20)19-11/h2-6,11-12,15-16,19-20,22-23H,7-8H2,1H3,(H,18,21)/b5-2+/t11-,12-,15-,16+/m1/s1	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	3.28E+4	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
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50204610 (CHEMBL3908900) Show SMILES NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O |r| 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-/m0/s1	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	3.42E+4	n/a	n/a	n/a	n/a	4.6	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 4.6 after 10 mins by fluore...				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))	BDBM50204609 (CHEMBL3985941) Show SMILES NC[C@H]1N[C@@H](CO)[C@H](O)[C@@H]1O |r| 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 UniChem Similars	Article PubMed	n/a	n/a	2.66E+5	n/a	n/a	n/a	n/a	4.6	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 4.6 after 10 mins by fluore...				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