Compile Data Set for Download or QSAR

Found 895 hits of ic50 for UniProtKB: P04062   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50598382 (CHEMBL5192083) Show SMILES CCCCCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114499 BindingDB Entry DOI: 10.7270/Q2Z89HFH
					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	-11.6	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))	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	-11.5	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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM313450 (US10167270, Example 156) Show SMILES O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCC(=O)NCCCCCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1 |r| Show InChI InChI=1S/C50H66N8O8S/c59-44(15-8-7-14-43-47-42(34-67-43)56-50(62)57-47)52-23-25-64-27-29-66-31-30-65-28-26-63-24-21-45(60)51-22-9-1-2-16-46(61)53-38-19-17-35(18-20-38)48-55-41-13-6-5-12-40(41)49(58-48)54-39-32-36-10-3-4-11-37(36)33-39/h3-6,10-13,17-20,39,42-43,47H,1-2,7-9,14-16,21-34H2,(H,51,60)(H,52,59)(H,53,61)(H,54,55,58)(H2,56,57,62)/t42-,43-,47-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.95	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					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))	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	n/a	n/a	2.04	n/a	n/a	n/a	n/a	7.0	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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285840 ((6R,7R,8S)-8-(but-1-yn-1-yl)-4-azaspiro[2.5]octane...) Show SMILES CCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C11H17NO2/c1-2-3-4-8-10(14)9(13)7-12-11(8)5-6-11/h8-10,12-14H,2,5-7H2,1H3/t8-,9-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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))	BDBM285840 ((6R,7R,8S)-8-(but-1-yn-1-yl)-4-azaspiro[2.5]octane...) Show SMILES CCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C11H17NO2/c1-2-3-4-8-10(14)9(13)7-12-11(8)5-6-11/h8-10,12-14H,2,5-7H2,1H3/t8-,9-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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))	BDBM285845 ((6R,7R,8S)-8-(4-fluorobut-1-yn-1-yl)-4-azaspiro[2....) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CCCF)[C@H]1O |r| Show InChI InChI=1S/C11H16FNO2/c12-6-2-1-3-8-10(15)9(14)7-13-11(8)4-5-11/h8-10,13-15H,2,4-7H2/t8-,9-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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))	BDBM285845 ((6R,7R,8S)-8-(4-fluorobut-1-yn-1-yl)-4-azaspiro[2....) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CCCF)[C@H]1O |r| Show InChI InChI=1S/C11H16FNO2/c12-6-2-1-3-8-10(15)9(14)7-13-11(8)4-5-11/h8-10,13-15H,2,4-7H2/t8-,9-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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))	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	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
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	n/a	n/a	3.62	n/a	n/a	n/a	n/a	7.0	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
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	n/a	n/a	3.70	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	n/a	n/a	3.70	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))	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	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
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	n/a	n/a	4	n/a	n/a	n/a	n/a	5.2	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...				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	n/a	n/a	4	n/a	n/a	n/a	n/a	5.2	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...				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))	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	n/a	n/a	4.26	n/a	n/a	n/a	n/a	7.0	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
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	n/a	n/a	4.30	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 Inhibition of lysosomal beta-glucosidase in human fibroblast using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 24 hrs b...				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))	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	n/a	n/a	4.73	n/a	n/a	n/a	n/a	7.0	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
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	n/a	n/a	4.75	n/a	n/a	n/a	n/a	7.0	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
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	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...				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	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before sub...				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))	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	n/a	n/a	5.05	n/a	n/a	n/a	n/a	7.0	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
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	n/a	n/a	5.11	n/a	n/a	n/a	n/a	7.0	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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds in DMSO solution (0.5 μL/well) were transferred to a black 96-well plate (the final titration started from 100 μM, a 12 or 24...				US Patent US10501435 (2019) BindingDB Entry DOI: 10.7270/Q24170FP
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description pH = 5.9.				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	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	5.20	n/a	n/a	n/a	n/a	5.9	n/a
Northwestern University Feinberg School of Medicine Curated by ChEMBL					Assay Description Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 5.9 preincubated for 5 mins followed by addition...				J Med Chem 59: 8508-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00930 BindingDB Entry DOI: 10.7270/Q2QF8VV6
					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	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
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	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
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	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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM313446 (US10167270, Example 145) Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1 Show InChI InChI=1S/C34H39N5O3/c1-34(2,3)42-33(41)35-20-10-4-5-15-30(40)36-26-18-16-23(17-19-26)31-38-29-14-9-8-13-28(29)32(39-31)37-27-21-24-11-6-7-12-25(24)22-27/h6-9,11-14,16-19,27H,4-5,10,15,20-22H2,1-3H3,(H,35,41)(H,36,40)(H,37,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					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))	BDBM313288 (US10167270, Example 66) Show SMILES C1Cc2ccccc2CC1Nc1nc(nc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196514 (CHEMBL3950881 | US10167270, Example 00159) Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r| Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					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	n/a	n/a	6.20	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))	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	n/a	n/a	6.20	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))	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	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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285830 ((6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol ...) Show SMILES CC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C9H17NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h6-8,10-12H,2-5H2,1H3/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	n/a	n/a	6.30	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))	BDBM285830 ((6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol ...) Show SMILES CC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r| Show InChI InChI=1S/C9H17NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h6-8,10-12H,2-5H2,1H3/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	n/a	n/a	6.30	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))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description pH = 5.9.				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	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	6.5	n/a	n/a	n/a	n/a	5.9	n/a
Northwestern University Feinberg School of Medicine Curated by ChEMBL					Assay Description Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 5.9 preincubated for 5 mins followed by addition...				J Med Chem 59: 8508-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00930 BindingDB Entry DOI: 10.7270/Q2QF8VV6
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196521 (CHEMBL3939100 | US10167270, Example 00162 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds in DMSO solution (0.5 μL/well) were transferred to a black 96-well plate (the final titration started from 100 μM, a 12 or 24...				US Patent US10501435 (2019) BindingDB Entry DOI: 10.7270/Q24170FP
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM285822 ((6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octan...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O |r| Show InChI InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	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))	BDBM285822 ((6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octan...) Show SMILES O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O |r| Show InChI InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	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))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds in DMSO solution (0.5 μL/well) were transferred to a black 96-well plate (the final titration started from 100 μM, a 12 or 24...				US Patent US10501435 (2019) BindingDB Entry DOI: 10.7270/Q24170FP
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	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	6.60	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University Feinberg School of Medicine Curated by ChEMBL					Assay Description Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 7 preincubated for 5 mins followed by addition o...				J Med Chem 59: 8508-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00930 BindingDB Entry DOI: 10.7270/Q2QF8VV6
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description pH = 7.0.				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair

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