Compile Data Set for Download or QSAR

Found 134 hits of ph data with Target = 'Glucosylceramidase'   

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
Glucosylceramidase (Homo sapiens (human))	BDBM18367 (2,5-anhydro-2,5-imino-D-glucitol based compound, 1...) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCC(=O)NC12CC3CC(CC(C3)C1)C2 Show InChI InChI=1S/C20H34N2O5/c23-10-15-18(26)19(27)16(11-24)22(15)3-1-2-17(25)21-20-7-12-4-13(8-20)6-14(5-12)9-20/h12-16,18-19,23-24,26-27H,1-11H2,(H,21,25)/t12?,13?,14?,15-,16+,18-,19-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.07E+5	n/a	n/a	n/a	n/a	5.0	37
The Scripps Research Institute					Assay Description Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 365 nm, emission 4...				J Med Chem 50: 94-100 (2007) Article DOI: 10.1021/jm060677i BindingDB Entry DOI: 10.7270/Q2765CMC
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM18368 (2,5-anhydro-2,5-imino-D-glucitol based compound, 2...) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCC(=O)NC12CC3CC(CC(C3)C1)C2 Show InChI InChI=1S/C21H36N2O5/c24-11-16-19(27)20(28)17(12-25)23(16)4-2-1-3-18(26)22-21-8-13-5-14(9-21)7-15(6-13)10-21/h13-17,19-20,24-25,27-28H,1-12H2,(H,22,26)/t13?,14?,15?,16-,17+,19-,20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.93E+5	n/a	n/a	n/a	n/a	5.0	37
The Scripps Research Institute					Assay Description Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 365 nm, emission 4...				J Med Chem 50: 94-100 (2007) Article DOI: 10.1021/jm060677i BindingDB Entry DOI: 10.7270/Q2765CMC
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM18369 (N-(adamantan-1-yl)-4-[(3R,4R,5R)-3,4-dihydroxy-5-(...) Show SMILES OC[C@H]1CN(CCCC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C20H34N2O4/c23-12-16-10-22(11-17(24)19(16)26)3-1-2-18(25)21-20-7-13-4-14(8-20)6-15(5-13)9-20/h13-17,19,23-24,26H,1-12H2,(H,21,25)/t13?,14?,15?,16-,17-,19-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	5.0	37
The Scripps Research Institute					Assay Description Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 365 nm, emission 4...				J Med Chem 50: 94-100 (2007) Article DOI: 10.1021/jm060677i BindingDB Entry DOI: 10.7270/Q2765CMC
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM18370 (N-(adamantan-1-yl)-5-[(3R,4R,5R)-3,4-dihydroxy-5-(...) Show SMILES OC[C@H]1CN(CCCCC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C21H36N2O4/c24-13-17-11-23(12-18(25)20(17)27)4-2-1-3-19(26)22-21-8-14-5-15(9-21)7-16(6-14)10-21/h14-18,20,24-25,27H,1-13H2,(H,22,26)/t14?,15?,16?,17-,18-,20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	5.0	37
The Scripps Research Institute					Assay Description Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 365 nm, emission 4...				J Med Chem 50: 94-100 (2007) Article DOI: 10.1021/jm060677i BindingDB Entry DOI: 10.7270/Q2765CMC
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM18371 (N-(adamantan-1-yl)-6-[(3R,4R,5R)-3,4-dihydroxy-5-(...) Show SMILES OC[C@H]1CN(CCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O Show InChI InChI=1S/C22H38N2O4/c25-14-18-12-24(13-19(26)21(18)28)5-3-1-2-4-20(27)23-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-19,21,25-26,28H,1-14H2,(H,23,27)/t15?,16?,17?,18-,19-,21-,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+4	n/a	n/a	n/a	n/a	5.0	37
The Scripps Research Institute					Assay Description Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 365 nm, emission 4...				J Med Chem 50: 94-100 (2007) Article DOI: 10.1021/jm060677i BindingDB Entry DOI: 10.7270/Q2765CMC
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108220 (5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]- 5...) Show SMILES COc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1 Show InChI InChI=1S/C18H24N2O5/c1-25-13-7-5-11(6-8-13)3-2-4-12-9-20-14(10-21)15(22)16(23)17(24)18(20)19-12/h5-9,14-17,21-24H,2-4,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.17	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108219 (5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]- 5H...) Show SMILES Cc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1 Show InChI InChI=1S/C18H24N2O4/c1-11-5-7-12(8-6-11)3-2-4-13-9-20-14(10-21)15(22)16(23)17(24)18(20)19-13/h5-9,14-17,21-24H,2-4,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.46	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108222 (2-[3-(4-cyclohexylphenyl)propyl]-5-(hydroxymethyl)...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)C3CCCCC3)cn12 Show InChI InChI=1S/C23H32N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h9-13,16,19-22,26-29H,1-8,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.93	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108216 (5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.19	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108223 (2-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)- 5H...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(F)cc3)cn12 Show InChI InChI=1S/C17H21FN2O4/c18-11-6-4-10(5-7-11)2-1-3-12-8-20-13(9-21)14(22)15(23)16(24)17(20)19-12/h4-8,13-16,21-24H,1-3,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.48	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108221 (5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]- 5H...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)-c3ccccc3)cn12 Show InChI InChI=1S/C23H26N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-13,19-22,26-29H,4-5,8,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.62	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108224 (N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCC(=O)Nc3ccccc3)cn12 Show InChI InChI=1S/C18H23N3O5/c22-10-13-15(24)16(25)17(26)18-20-12(9-21(13)18)7-4-8-14(23)19-11-5-2-1-3-6-11/h1-3,5-6,9,13,15-17,22,24-26H,4,7-8,10H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.18	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108217 (2-(3,3-dimethylbutyl)-5-(hydroxymethyl)- 5H,6H,7H,...) Show SMILES CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1 Show InChI InChI=1S/C14H24N2O4/c1-14(2,3)5-4-8-6-16-9(7-17)10(18)11(19)12(20)13(16)15-8/h6,9-12,17-20H,4-5,7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.34	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108218 (5-(hydroxymethyl)-2-octyl-5H,6H,7H,8H-imidazo[1,2-...) Show SMILES CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1 Show InChI InChI=1S/C16H28N2O4/c1-2-3-4-5-6-7-8-11-9-18-12(10-19)13(20)14(21)15(22)16(18)17-11/h9,12-15,19-22H,2-8,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.38	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM36514 (CID46912122 | MDW933, 5) Show SMILES CC1=CC(C)=[N+]2C1=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1c(C)cc(C)n1[B-]2(F)F Show InChI InChI=1S/C26H34BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9-11,19,22-26,35-37H,5-8,12H2,1-4H3/t19-,22-,23+,24-,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-48.4	1.24	n/a	n/a	n/a	n/a	5.2	37
Leiden University					Assay Description Enzymatic activity assay using fluorescent activity-based labeling method.				Nat Chem Biol 6: 907-13 (2010) Article DOI: 10.1038/nchembio.466 BindingDB Entry DOI: 10.7270/Q2FX77ST
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM36515 (CID46912120 | MDW941, 6) Show SMILES COc1ccc(cc1)C1=[N+]2C(C=C1)=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1ccc(-c3ccc(OC)cc3)n1[B-]2(F)F Show InChI InChI=1S/C36H38BF2N5O6/c1-48-24-11-7-21(8-12-24)28-15-17-30-26(31-18-16-29(44(31)37(38,39)43(28)30)22-9-13-25(49-2)14-10-22)6-4-3-5-23-19-42(41-40-23)20-27-32(45)33(46)34(47)36-35(27)50-36/h7-19,27,32-36,45-47H,3-6,20H2,1-2H3/t27-,32-,33+,34-,35-,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-48.1	1.94	n/a	n/a	n/a	n/a	5.2	37
Leiden University					Assay Description Enzymatic activity assay using fluorescent activity-based labeling method.				Nat Chem Biol 6: 907-13 (2010) Article DOI: 10.1038/nchembio.466 BindingDB Entry DOI: 10.7270/Q2FX77ST
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108417 (US8604206, 6) Show SMILES O[C@@H]1CNC[C@H](C(F)F)[C@H]1O Show InChI InChI=1S/C6H11F2NO2/c7-6(8)3-1-9-2-4(10)5(3)11/h3-6,9-11H,1-2H2/t3-,4+,5+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		13.6	n/a	25.9	n/a	n/a	n/a	n/a	5.2	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concent...				US Patent US8604206 (2013) BindingDB Entry DOI: 10.7270/Q2MS3RDR
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108418 (US8604206, 13 | US8604206, 14) Show SMILES CC(F)[C@H]1CNC[C@@H](O)[C@@H]1O Show InChI InChI=1S/C7H14FNO2/c1-4(8)5-2-9-3-6(10)7(5)11/h4-7,9-11H,2-3H2,1H3/t4?,5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		16	n/a	38	n/a	n/a	n/a	n/a	5.2	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concent...				US Patent US8604206 (2013) BindingDB Entry DOI: 10.7270/Q2MS3RDR
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108225 (2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5- (hydr...) Show SMILES CC(C)(CCCc1cn2C(CO)C(O)C(O)C(O)c2n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H29N3O5/c1-21(2,20(29)23-13-7-4-3-5-8-13)10-6-9-14-11-24-15(12-25)16(26)17(27)18(28)19(24)22-14/h3-5,7-8,11,15-18,25-28H,6,9-10,12H2,1-2H3,(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18.9	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108215 (5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...) Show SMILES OCC1C(O)C(O)C(O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	33.1	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108419 (US8604206, 10 | US8604206, 9) Show SMILES CC(O)[C@H]1CNC[C@@H](O)[C@@H]1O Show InChI InChI=1S/C7H15NO3/c1-4(9)5-2-8-3-6(10)7(5)11/h4-11H,2-3H2,1H3/t4?,5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		44	n/a	107	n/a	n/a	n/a	n/a	5.2	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concent...				US Patent US8604206 (2013) BindingDB Entry DOI: 10.7270/Q2MS3RDR
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM36513 (CID46912128 | KY170, 4 | US9056847, Azido-cyclophe...) Show SMILES O[C@H]1[C@@H]2O[C@@H]2[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O Show InChI InChI=1S/C7H11N3O4/c8-10-9-1-2-3(11)4(12)5(13)7-6(2)14-7/h2-7,11-13H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	-43.7	120	n/a	n/a	n/a	n/a	5.2	37
Leiden University					Assay Description Enzymatic activity assay using fluorescent activity-based labeling method.				Nat Chem Biol 6: 907-13 (2010) Article DOI: 10.1038/nchembio.466 BindingDB Entry DOI: 10.7270/Q2FX77ST
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108418 (US8604206, 13 | US8604206, 14) Show SMILES CC(F)[C@H]1CNC[C@@H](O)[C@@H]1O Show InChI InChI=1S/C7H14FNO2/c1-4(8)5-2-9-3-6(10)7(5)11/h4-7,9-11H,2-3H2,1H3/t4?,5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		49.8	n/a	94.6	n/a	n/a	n/a	n/a	5.2	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concent...				US Patent US8604206 (2013) BindingDB Entry DOI: 10.7270/Q2MS3RDR
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108424 (US8604206, (3R,4R,5S)-5(2-hydroxypropan-2-yl)piper...) Show SMILES CC(C)(O)[C@H]1CNC[C@@H](O)[C@@H]1O Show InChI InChI=1S/C8H17NO3/c1-8(2,12)5-3-9-4-6(10)7(5)11/h5-7,9-12H,3-4H2,1-2H3/t5-,6+,7+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		97	n/a	234	n/a	n/a	n/a	n/a	5.2	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concent...				US Patent US8604206 (2013) BindingDB Entry DOI: 10.7270/Q2MS3RDR
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108419 (US8604206, 10 | US8604206, 9) Show SMILES CC(O)[C@H]1CNC[C@@H](O)[C@@H]1O Show InChI InChI=1S/C7H15NO3/c1-4(9)5-2-8-3-6(10)7(5)11/h4-11H,2-3H2,1H3/t4?,5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		142	n/a	343	n/a	n/a	n/a	n/a	5.2	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concent...				US Patent US8604206 (2013) BindingDB Entry DOI: 10.7270/Q2MS3RDR
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM36512 (CID164227 | Cylcophellitol, 3) Show SMILES OC[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	152	-40.5	150	n/a	n/a	n/a	n/a	5.2	37
Leiden University					Assay Description Enzymatic activity assay using fluorescent activity-based labeling method.				Nat Chem Biol 6: 907-13 (2010) Article DOI: 10.1038/nchembio.466 BindingDB Entry DOI: 10.7270/Q2FX77ST
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108422 (US8604206, (3R,4R,5S)-5-benzyl-piperidine-3,4-diol) Show SMILES O[C@@H]1CNC[C@H](Cc2ccccc2)[C@H]1O Show InChI InChI=1S/C12H17NO2/c14-11-8-13-7-10(12(11)15)6-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2/t10-,11+,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		273	n/a	659	n/a	n/a	n/a	n/a	5.2	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concent...				US Patent US8604206 (2013) BindingDB Entry DOI: 10.7270/Q2MS3RDR
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM50156357 (2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...) Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	488	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucosylceramidase (Homo sapiens (human))	BDBM108423 (US8604206, (3R,4R,5R)-5((S)-hydroxy(phenyl)methyl)...) Show SMILES O[C@@H]([C@H]1CNC[C@@H](O)[C@@H]1O)c1ccccc1 Show InChI InChI=1S/C12H17NO3/c14-10-7-13-6-9(12(10)16)11(15)8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10-,11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		1.36E+3	n/a	3.29E+3	n/a	n/a	n/a	n/a	5.2	n/a
Amicus Therapeutics, Inc. US Patent					Assay Description The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concent...				US Patent US8604206 (2013) BindingDB Entry DOI: 10.7270/Q2MS3RDR
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM50078114 ((1S,2R,3S,4S,5R,6R)-7-Oxa-bicyclo[4.1.0]heptane-2,...) Show SMILES O[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+4	-25.4	9.49E+3	n/a	n/a	n/a	n/a	5.2	37
Leiden University					Assay Description Enzymatic activity assay using fluorescent activity-based labeling method.				Nat Chem Biol 6: 907-13 (2010) Article DOI: 10.1038/nchembio.466 BindingDB Entry DOI: 10.7270/Q2FX77ST
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108219 (5-(hydroxymethyl)-2-[3-(4-methylphenyl)propyl]- 5H...) Show SMILES Cc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1 Show InChI InChI=1S/C18H24N2O4/c1-11-5-7-12(8-6-11)3-2-4-13-9-20-14(10-21)15(22)16(23)17(24)18(20)19-13/h5-9,14-17,21-24H,2-4,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.44	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108218 (5-(hydroxymethyl)-2-octyl-5H,6H,7H,8H-imidazo[1,2-...) Show SMILES CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1 Show InChI InChI=1S/C16H28N2O4/c1-2-3-4-5-6-7-8-11-9-18-12(10-19)13(20)14(21)15(22)16(18)17-11/h9,12-15,19-22H,2-8,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.39	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108217 (2-(3,3-dimethylbutyl)-5-(hydroxymethyl)- 5H,6H,7H,...) Show SMILES CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1 Show InChI InChI=1S/C14H24N2O4/c1-14(2,3)5-4-8-6-16-9(7-17)10(18)11(19)12(20)13(16)15-8/h6,9-12,17-20H,4-5,7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.34	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108216 (5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.71	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108215 (5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...) Show SMILES OCC1C(O)C(O)C(O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	91.6	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108220 (5-(hydroxymethyl)-2-[3-(4-methoxyphenyl)propyl]- 5...) Show SMILES COc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1 Show InChI InChI=1S/C18H24N2O5/c1-25-13-7-5-11(6-8-13)3-2-4-12-9-20-14(10-21)15(22)16(23)17(24)18(20)19-12/h5-9,14-17,21-24H,2-4,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.97	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108221 (5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]- 5H...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)-c3ccccc3)cn12 Show InChI InChI=1S/C23H26N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-3,6-7,9-13,19-22,26-29H,4-5,8,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.27	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108222 (2-[3-(4-cyclohexylphenyl)propyl]-5-(hydroxymethyl)...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)C3CCCCC3)cn12 Show InChI InChI=1S/C23H32N2O4/c26-14-19-20(27)21(28)22(29)23-24-18(13-25(19)23)8-4-5-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h9-13,16,19-22,26-29H,1-8,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.42	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108223 (2-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)- 5H...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(F)cc3)cn12 Show InChI InChI=1S/C17H21FN2O4/c18-11-6-4-10(5-7-11)2-1-3-12-8-20-13(9-21)14(22)15(23)16(24)17(20)19-12/h4-8,13-16,21-24H,1-3,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.23	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM50156357 (2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...) Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	979	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucosylceramidase (Homo sapiens (human))	BDBM108225 (2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5- (hydr...) Show SMILES CC(C)(CCCc1cn2C(CO)C(O)C(O)C(O)c2n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H29N3O5/c1-21(2,20(29)23-13-7-4-3-5-8-13)10-6-9-14-11-24-15(12-25)16(26)17(27)18(28)19(24)22-14/h3-5,7-8,11,15-18,25-28H,6,9-10,12H2,1-2H3,(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM108224 (N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCCC(=O)Nc3ccccc3)cn12 Show InChI InChI=1S/C18H23N3O5/c22-10-13-15(24)16(25)17(26)18-20-12(9-21(13)18)7-4-8-14(23)19-11-5-2-1-3-6-11/h1-3,5-6,9,13,15-17,22,24-26H,4,7-8,10H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.96	n/a	n/a	n/a	n/a	5.2	n/a
Nankai University					Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM85134 (Isofagomine derivative, 7) Show SMILES CCCCCCCCCC1NCC(O)C(O)C1CO Show InChI InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
University of British Columbia					Assay Description Fluorescene-based assay using beta-glucocerebrosidase.				Chembiochem 12: 2151-4 (2011) Article DOI: 10.1002/cbic.201100332 BindingDB Entry DOI: 10.7270/Q2WD3Z3W
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM50075408 (5-(hydroxymethyl)piperidine-3,4-diol | CHEMBL34512...) Show SMILES OCC1CNCC(O)C1O Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
University of British Columbia					Assay Description Fluorescene-based assay using beta-glucocerebrosidase.				Chembiochem 12: 2151-4 (2011) Article DOI: 10.1002/cbic.201100332 BindingDB Entry DOI: 10.7270/Q2WD3Z3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucosylceramidase (Homo sapiens (human))	BDBM85133 (Isofagomine derivative, 10) Show SMILES OCCCC1NCC(O)C(O)C1CO Show InChI InChI=1S/C9H19NO4/c11-3-1-2-7-6(5-12)9(14)8(13)4-10-7/h6-14H,1-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
University of British Columbia					Assay Description Fluorescene-based assay using beta-glucocerebrosidase.				Chembiochem 12: 2151-4 (2011) Article DOI: 10.1002/cbic.201100332 BindingDB Entry DOI: 10.7270/Q2WD3Z3W
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM18364 ((2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidi...) Show SMILES CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-11-13(18)15(20)14(19)12(10-17)16-11/h11-20H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	200	-39.8	270	n/a	n/a	n/a	n/a	5.5	37
Hokuriku University					Assay Description Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...				Bioorg Med Chem 14: 7736-44 (2006) Article DOI: 10.1016/j.bmc.2006.08.003 BindingDB Entry DOI: 10.7270/Q2BZ649B
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM18363 ((2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-octylpiperidi...) Show SMILES CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-10-12(17)14(19)13(18)11(9-16)15-10/h10-19H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	280	-38.9	500	n/a	n/a	n/a	n/a	5.5	37
Hokuriku University					Assay Description Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...				Bioorg Med Chem 14: 7736-44 (2006) Article DOI: 10.1016/j.bmc.2006.08.003 BindingDB Entry DOI: 10.7270/Q2BZ649B
					More data for this Ligand-Target Pair
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 GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	300	-38.7	660	n/a	n/a	n/a	n/a	5.5	37
Hokuriku University					Assay Description Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...				Bioorg Med Chem 14: 7736-44 (2006) Article DOI: 10.1016/j.bmc.2006.08.003 BindingDB Entry DOI: 10.7270/Q2BZ649B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucosylceramidase (Homo sapiens (human))	BDBM18357 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...) Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	420	-37.9	820	n/a	n/a	n/a	n/a	5.5	37
Hokuriku University					Assay Description Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...				Bioorg Med Chem 14: 7736-44 (2006) Article DOI: 10.1016/j.bmc.2006.08.003 BindingDB Entry DOI: 10.7270/Q2BZ649B
					More data for this Ligand-Target Pair
Glucosylceramidase (Homo sapiens (human))	BDBM85132 (Isofagomine derivative, 8) Show SMILES CCCC1(CCC)NCC(O)C(O)C1CO Show InChI InChI=1S/C12H25NO3/c1-3-5-12(6-4-2)9(8-14)11(16)10(15)7-13-12/h9-11,13-16H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
University of British Columbia					Assay Description Fluorescene-based assay using beta-glucocerebrosidase.				Chembiochem 12: 2151-4 (2011) Article DOI: 10.1002/cbic.201100332 BindingDB Entry DOI: 10.7270/Q2WD3Z3W
					More data for this Ligand-Target Pair

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