Compile Data Set for Download or QSAR

Found 1384 hits Enz. Inhib. hit(s) with Target = 'Lysosomal acid 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
Lysosomal acid 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	7.0	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
Lysosomal acid 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 antibodypedia 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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50383315 (CHEMBL2029773) Show SMILES CCCCCCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H31NO3S/c1-2-3-4-5-6-7-9-20-10-8-12-14(18)15(19)13(17)11-16-12/h12-19H,2-11H2,1H3/t12-,13-,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	0.400	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
University of British Columbia Curated by ChEMBL					Assay Description Competitive inhibition of wild type human glucocerebrosidase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 15 mins by Dixon an...				J Med Chem 55: 2737-45 (2012) Article DOI: 10.1021/jm201633y BindingDB Entry DOI: 10.7270/Q2639QSX
					More data for this Ligand-Target Pair
Lysosomal acid 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	17.1	n/a	n/a	n/a	n/a	7.0	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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM162702 (US9056847, Fluorophore 1-cyclophellitol) 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 |r,c:4,7,t:1| 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.950	n/a	2	n/a	n/a	n/a	n/a	5.2	n/a
ACADEMISCH MEDISCH CENTRUM BIJ UNIVERSITEIT VAN AMSTERDAM US Patent					Assay Description Activity of GBA was measured at 37° C. with 4-methylumbelliferyl β-D-glucopyranoside as substrate as reported previously. To determine the IC50 ...				US Patent US9056847 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GG7
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50254115 (CHEMBL4080589) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN(C)[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C25H39N3O6S/c1-27(2)20-12-8-11-18-17(20)10-9-13-21(18)35(33,34)26-14-6-4-5-7-15-28(3)22-19(16-29)23(30)25(32)24(22)31/h8-13,19,22-26,29-32H,4-7,14-16H2,1-3H3/t19-,22+,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	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 Competitive inhibition of recombinant beta-glucocerebrosidase (unknown origin) using 4-nitrophenyl beta-D-galactopyranoside as substrate pre-incubate...				Bioorg Med Chem Lett 27: 3431-3435 (2017) Article DOI: 10.1016/j.bmcl.2017.05.086 BindingDB Entry DOI: 10.7270/Q29889D9
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50394827 (CHEMBL2164231) Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r| Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...				J Med Chem 55: 4479-88 (2012) Article DOI: 10.1021/jm300342q BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50394827 (CHEMBL2164231) Show SMILES CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r| Show InChI InChI=1S/C24H49NO5/c1-3-5-7-9-11-13-15-17-25-19-20(26)21(27)22(28)23(29)24(19)30-18-16-14-12-10-8-6-4-2/h19-29H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...				J Med Chem 55: 4479-88 (2012) Article DOI: 10.1021/jm300342q BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50018014 (CHEMBL3289676) Show SMILES O[C@@H]1CN[C@H](CCCCCOCC23CC4CC(CC(C4)C2)C3)[C@H](O)[C@H]1O |r,TLB:11:12:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18| Show InChI InChI=1S/C21H37NO4/c23-18-12-22-17(19(24)20(18)25)4-2-1-3-5-26-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h14-20,22-25H,1-13H2/t14?,15?,16?,17-,18-,19+,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technical University Graz Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta-glucocerebrosidase				Bioorg Med Chem Lett 24: 2777-80 (2014) Article DOI: 10.1016/j.bmcl.2014.03.069 BindingDB Entry DOI: 10.7270/Q2RV0Q8B
					More data for this Ligand-Target Pair
Lysosomal acid 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 antibodypedia 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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50099006 (7-Diethylamino-2-oxo-2H-chromene-3-carboxylic acid...) Show SMILES CCN(CC)c1ccc2cc(C(=O)NC[C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)c(=O)oc2c1 Show InChI InChI=1S/C20H27N3O6/c1-3-23(4-2)12-6-5-11-7-13(20(28)29-16(11)8-12)19(27)21-9-14-17(25)18(26)15(10-24)22-14/h5-8,14-15,17-18,22,24-26H,3-4,9-10H2,1-2H3,(H,21,27)/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	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Tested for inhibitory activity of the compound against Beta-glucosidase from Agrobacterium species				Bioorg Med Chem Lett 11: 1063-4 (2001) BindingDB Entry DOI: 10.7270/Q2222T12
					More data for this Ligand-Target Pair
Lysosomal acid 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 antibodypedia 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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM60418 (US9056847, Fluorophore 2-cyclophellitol) 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 |r,c:12,t:9,14| 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.56	n/a	n/a	n/a	n/a	n/a	n/a	5.2	n/a
ACADEMISCH MEDISCH CENTRUM BIJ UNIVERSITEIT VAN AMSTERDAM US Patent					Assay Description Activity of GBA was measured at 37° C. with 4-methylumbelliferyl β-D-glucopyranoside as substrate as reported previously. To determine the IC50 ...				US Patent US9056847 (2015) BindingDB Entry DOI: 10.7270/Q2CV4GG7
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50182801 ((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...) 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 DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US9796680 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C36
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50182801 ((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...) 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 DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50383327 (CHEMBL2029772) Show SMILES CCCCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H27NO3S/c1-2-3-4-5-7-18-8-6-10-12(16)13(17)11(15)9-14-10/h10-17H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
University of British Columbia Curated by ChEMBL					Assay Description Competitive inhibition of wild type human glucocerebrosidase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 15 mins by Dixon an...				J Med Chem 55: 2737-45 (2012) Article DOI: 10.1021/jm201633y BindingDB Entry DOI: 10.7270/Q2639QSX
					More data for this Ligand-Target Pair
Lysosomal acid 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 antibodypedia 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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50100428 (6-(5-Dimethylamino-naphthalene-1-sulfonylamino)-he...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O Show InChI InChI=1S/C24H36N4O6S/c1-28(2)20-10-6-9-17-16(20)8-7-11-21(17)35(33,34)26-13-5-3-4-12-22(30)25-14-18-23(31)24(32)19(15-29)27-18/h6-11,18-19,23-24,26-27,29,31-32H,3-5,12-15H2,1-2H3,(H,25,30)/t18-,19-,23?,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie der Technischen Universität Graz Curated by ChEMBL					Assay Description Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method				Bioorg Med Chem Lett 11: 1339-42 (2001) BindingDB Entry DOI: 10.7270/Q2JQ1097
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285821 ((6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](CF)[C@H]1O |r| Show InChI InChI=1S/C8H14FNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285821 ((6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](CF)[C@H]1O |r| Show InChI InChI=1S/C8H14FNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US9796680 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C36
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50315250 ((2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol | CHEM...) Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-11-13(17)14(18)12(16)10-15-11/h11-18H,2-10H2,1H3/t11-,12-,13+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans& CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant beta-glucocerebrosidase assessed as p-nitrophenolate accumulation preincubated for 10 mins before p-nitrophenyl-beta-...				Bioorg Med Chem 18: 2645-50 (2010) Article DOI: 10.1016/j.bmc.2010.02.027 BindingDB Entry DOI: 10.7270/Q24F1QVM
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50315250 ((2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol | CHEM...) Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-11-13(17)14(18)12(16)10-15-11/h11-18H,2-10H2,1H3/t11-,12-,13+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technical University Graz Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta-glucocerebrosidase				Bioorg Med Chem Lett 24: 2777-80 (2014) Article DOI: 10.1016/j.bmcl.2014.03.069 BindingDB Entry DOI: 10.7270/Q2RV0Q8B
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50100426 (5-Dimethylamino-naphthalene-1-sulfonic acid ((3S,4...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O Show InChI InChI=1S/C18H25N3O5S/c1-21(2)15-7-3-6-12-11(15)5-4-8-16(12)27(25,26)19-9-13-17(23)18(24)14(10-22)20-13/h3-8,13-14,17-20,22-24H,9-10H2,1-2H3/t13-,14-,17?,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie der Technischen Universität Graz Curated by ChEMBL					Assay Description Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method				Bioorg Med Chem Lett 11: 1339-42 (2001) BindingDB Entry DOI: 10.7270/Q2JQ1097
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285819 ((6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol...) Show SMILES C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C8H15NO2/c1-5-7(11)6(10)4-9-8(5)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.60	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285819 ((6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol...) Show SMILES C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C8H15NO2/c1-5-7(11)6(10)4-9-8(5)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US9796680 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C36
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50383321 (CHEMBL2029780) Show SMILES O[C@@H]1CN[C@H](CCSCCc2ccccc2)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H23NO3S/c17-13-10-16-12(14(18)15(13)19)7-9-20-8-6-11-4-2-1-3-5-11/h1-5,12-19H,6-10H2/t12-,13-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
University of British Columbia Curated by ChEMBL					Assay Description Competitive inhibition of wild type human glucocerebrosidase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 15 mins by Dixon an...				J Med Chem 55: 2737-45 (2012) Article DOI: 10.1021/jm201633y BindingDB Entry DOI: 10.7270/Q2639QSX
					More data for this Ligand-Target Pair
Lysosomal acid 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.06	n/a	5.80	n/a	n/a	n/a	n/a	7.0	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
Lysosomal acid 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 antibodypedia 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
Lysosomal acid 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 antibodypedia 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
Lysosomal acid 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 antibodypedia 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
Lysosomal acid 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	7	n/a	n/a	n/a	n/a	7.0	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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50383323 (CHEMBL2029778) Show SMILES O[C@@H]1CN[C@H](CCSC2CCCCC2)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H25NO3S/c15-11-8-14-10(12(16)13(11)17)6-7-18-9-4-2-1-3-5-9/h9-17H,1-8H2/t10-,11-,12+,13+/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	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
University of British Columbia Curated by ChEMBL					Assay Description Competitive inhibition of wild type human glucocerebrosidase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 15 mins by Dixon an...				J Med Chem 55: 2737-45 (2012) Article DOI: 10.1021/jm201633y BindingDB Entry DOI: 10.7270/Q2639QSX
					More data for this Ligand-Target Pair
Lysosomal acid 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 antibodypedia 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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50383325 (CHEMBL2029776) Show SMILES CC(C)CCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H25NO3S/c1-8(2)3-5-17-6-4-9-11(15)12(16)10(14)7-13-9/h8-16H,3-7H2,1-2H3/t9-,10-,11+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
University of British Columbia Curated by ChEMBL					Assay Description Competitive inhibition of wild type human glucocerebrosidase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 15 mins by Dixon an...				J Med Chem 55: 2737-45 (2012) Article DOI: 10.1021/jm201633y BindingDB Entry DOI: 10.7270/Q2639QSX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM636738 (US11826435, Compound 1.7) Show SMILES CCCCCCCN1C2C1[C@H](O)[C@@H](O)[C@H](O)[C@H]2O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Lysosomal acid 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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	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)
Lysosomal acid 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 antibodypedia 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
Lysosomal acid 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 antibodypedia 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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50383324 (CHEMBL2029777) Show SMILES O[C@@H]1CN[C@H](CCSC2CCCC2)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H23NO3S/c14-10-7-13-9(11(15)12(10)16)5-6-17-8-3-1-2-4-8/h8-16H,1-7H2/t9-,10-,11+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
University of British Columbia Curated by ChEMBL					Assay Description Competitive inhibition of wild type human glucocerebrosidase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 15 mins by Dixon an...				J Med Chem 55: 2737-45 (2012) Article DOI: 10.1021/jm201633y BindingDB Entry DOI: 10.7270/Q2639QSX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285839 ((6R,7R,8S)-8-(prop-1-yn-1-yl)-4-azaspiro[2.5]octan...) Show SMILES CC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C10H15NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,4-6H2,1H3/t7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US9796680 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C36
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285839 ((6R,7R,8S)-8-(prop-1-yn-1-yl)-4-azaspiro[2.5]octan...) Show SMILES CC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C10H15NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,4-6H2,1H3/t7-,8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid 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 |c:4,7,t:1| 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 antibodypedia 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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285820 ((6R,7R,8R)-8-(hydroxymethyl)-4-azaspiro[2.5]octane...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C8H15NO3/c10-4-5-7(12)6(11)3-9-8(5)1-2-8/h5-7,9-12H,1-4H2/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US9796680 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C36
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285820 ((6R,7R,8R)-8-(hydroxymethyl)-4-azaspiro[2.5]octane...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C8H15NO3/c10-4-5-7(12)6(11)3-9-8(5)1-2-8/h5-7,9-12H,1-4H2/t5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50018018 (CHEMBL3289679) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H25N3O5S/c1-21(2)14-7-3-6-12-11(14)5-4-8-16(12)27(25,26)20-9-13-17(23)18(24)15(22)10-19-13/h3-8,13,15,17-20,22-24H,9-10H2,1-2H3/t13-,15-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technical University Graz Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta-glucocerebrosidase using 2,4-dinitrophenyl-beta-D-glucopyranoside as substrate by UV spectrophotometric analysis				Bioorg Med Chem Lett 24: 2777-80 (2014) Article DOI: 10.1016/j.bmcl.2014.03.069 BindingDB Entry DOI: 10.7270/Q2RV0Q8B
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285834 ((6R,7R,8S)-8-vinyl-4-azaspiro[2.5]octane-6,7-diol ...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C=C)[C@H]1O |r| Show InChI InChI=1S/C9H15NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h2,6-8,10-12H,1,3-5H2/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.60	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285834 ((6R,7R,8S)-8-vinyl-4-azaspiro[2.5]octane-6,7-diol ...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C=C)[C@H]1O |r| Show InChI InChI=1S/C9H15NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h2,6-8,10-12H,1,3-5H2/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US9796680 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C36
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285838 ((6R,7R,8S)-8-ethynyl-4-azaspiro[2.5]octane-6,7-dio...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#C)[C@H]1O |r| Show InChI InChI=1S/C9H13NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h1,6-8,10-12H,3-5H2/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US9796680 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C36
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285838 ((6R,7R,8S)-8-ethynyl-4-azaspiro[2.5]octane-6,7-dio...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#C)[C@H]1O |r| Show InChI InChI=1S/C9H13NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h1,6-8,10-12H,3-5H2/t6-,7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Alectos Therapeutics Inc. US Patent					Assay Description Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...				US Patent US10081601 (2018) BindingDB Entry DOI: 10.7270/Q2S184JZ
					More data for this Ligand-Target Pair
Lysosomal acid 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 |c:12,t:9,14| 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 antibodypedia 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

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