Compile Data Set for Download or QSAR

Found 83 hits Enz. Inhib. hit(s) with all data for entry = 6096   

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))	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))	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))	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))	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))	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))	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))	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 antibodypedia 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
Lysosomal acid 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 antibodypedia 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
Lysosomal acid 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 antibodypedia 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)
Beta-galactosidase (Bos taurus (Bovine))	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				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))	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))	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))	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
Prunasin hydrolase (Prunus dulcis (Almond))	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				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	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))	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))	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))	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
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	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 GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				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	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))	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	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
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	n/a	n/a	7.67	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))	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	n/a	n/a	7.80	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))	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	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
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	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
Lysosomal acid 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	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))	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 antibodypedia 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
Prunasin hydrolase (Prunus dulcis (Almond))	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	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 GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				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))	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 antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	79.2	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))	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 antibodypedia 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
Beta-galactosidase (Bos taurus (Bovine))	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	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)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	10.6	37
Nankai University					Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....				Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP
					More data for this Ligand-Target Pair

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