Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'mahuran' and Initial = 'd'   

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))	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))	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))	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))	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))	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))	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))	BDBM50383319 (CHEMBL2029782) Show SMILES O[C@@H]1CN[C@H](CCSCCNC(=O)Nc2ccccc2)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H25N3O4S/c20-13-10-18-12(14(21)15(13)22)6-8-24-9-7-17-16(23)19-11-4-2-1-3-5-11/h1-5,12-15,18,20-22H,6-10H2,(H2,17,19,23)/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	12	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))	BDBM50383328 (CHEMBL2029771) Show SMILES CCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H23NO3S/c1-2-3-5-16-6-4-8-10(14)11(15)9(13)7-12-8/h8-15H,2-7H2,1H3/t8-,9-,10+,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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))	BDBM50383322 (CHEMBL2029779) Show SMILES O[C@@H]1CN[C@H](CCSCc2ccccc2)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H21NO3S/c16-12-8-15-11(13(17)14(12)18)6-7-19-9-10-4-2-1-3-5-10/h1-5,11-18H,6-9H2/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	Article PubMed	19	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))	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	23	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
University of British Columbia					Assay Description Fluorescene-based assay using beta-glucocerebrosidase.				Chembiochem 12: 2151-4 (2011) Article DOI: 10.1002/cbic.201100332 BindingDB Entry DOI: 10.7270/Q2WD3Z3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50383326 (CHEMBL2029775) Show SMILES CC(C)(C)SCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H23NO3S/c1-11(2,3)16-5-4-7-9(14)10(15)8(13)6-12-7/h7-10,12-15H,4-6H2,1-3H3/t7-,8-,9+,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Li...				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))	BDBM50383318 (CHEMBL2029783) Show SMILES O[C@@H]1CN[C@H](CCSCC(=O)NCc2ccccc2)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H24N2O4S/c19-13-9-17-12(15(21)16(13)22)6-7-23-10-14(20)18-8-11-4-2-1-3-5-11/h1-5,12-13,15-17,19,21-22H,6-10H2,(H,18,20)/t12-,13-,15+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	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 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Li...				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))	BDBM50383314 (CHEMBL2029774) Show SMILES CC(C)SCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H21NO3S/c1-6(2)15-4-3-7-9(13)10(14)8(12)5-11-7/h6-14H,3-5H2,1-2H3/t7-,8-,9+,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	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 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Li...				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))	BDBM85133 (Isofagomine derivative, 10) Show SMILES OCCCC1NCC(O)C(O)C1CO Show InChI InChI=1S/C9H19NO4/c11-3-1-2-7-6(5-12)9(14)8(13)4-10-7/h6-14H,1-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
University of British Columbia					Assay Description Fluorescene-based assay using beta-glucocerebrosidase.				Chembiochem 12: 2151-4 (2011) Article DOI: 10.1002/cbic.201100332 BindingDB Entry DOI: 10.7270/Q2WD3Z3W
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM85133 (Isofagomine derivative, 10) Show SMILES OCCCC1NCC(O)C(O)C1CO Show InChI InChI=1S/C9H19NO4/c11-3-1-2-7-6(5-12)9(14)8(13)4-10-7/h6-14H,1-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	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))	BDBM50383329 (CHEMBL2029770) Show SMILES CCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H19NO3S/c1-2-14-4-3-6-8(12)9(13)7(11)5-10-6/h6-13H,2-5H2,1H3/t6-,7-,8+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	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 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Li...				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))	BDBM50383320 (CHEMBL2029781) Show SMILES CCCC(=O)NCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H26N2O4S/c1-2-3-11(17)14-5-7-20-6-4-9-12(18)13(19)10(16)8-15-9/h9-10,12-13,15-16,18-19H,2-8H2,1H3,(H,14,17)/t9-,10-,12+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	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 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Li...				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))	BDBM85131 (Isofagomine derivative, 6) Show SMILES CCCC1NCC(O)C(O)C1CO Show InChI InChI=1S/C9H19NO3/c1-2-3-7-6(5-11)9(13)8(12)4-10-7/h6-13H,2-5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	210	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))	BDBM50383317 (CHEMBL2029784) Show SMILES CCN(CC)C(=O)CCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H30N2O4S/c1-3-17(4-2)13(19)6-5-8-22-9-7-11-14(20)15(21)12(18)10-16-11/h11-12,14-16,18,20-21H,3-10H2,1-2H3/t11-,12-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	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 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Li...				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))	BDBM50383316 (CHEMBL2029785) Show SMILES O[C@@H]1CN[C@H](CCSCCCC(=O)N2CCOCC2)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H28N2O5S/c18-12-10-16-11(14(20)15(12)21)3-9-23-8-1-2-13(19)17-4-6-22-7-5-17/h11-12,14-16,18,20-21H,1-10H2/t11-,12-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	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 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Li...				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))	BDBM85132 (Isofagomine derivative, 8) Show SMILES CCCC1(CCC)NCC(O)C(O)C1CO Show InChI InChI=1S/C12H25NO3/c1-3-5-12(6-4-2)9(8-14)11(16)10(15)7-13-12/h9-11,13-16H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
University of British Columbia					Assay Description Fluorescene-based assay using beta-glucocerebrosidase.				Chembiochem 12: 2151-4 (2011) Article DOI: 10.1002/cbic.201100332 BindingDB Entry DOI: 10.7270/Q2WD3Z3W
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM85131 (Isofagomine derivative, 6) Show SMILES CCCC1NCC(O)C(O)C1CO Show InChI InChI=1S/C9H19NO3/c1-2-3-7-6(5-11)9(13)8(12)4-10-7/h6-13H,2-5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	610	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))	BDBM50383330 (CHEMBL2029769) Show SMILES CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C7H15NO3/c1-2-4-6(10)7(11)5(9)3-8-4/h4-11H,2-3H2,1H3/t4-,5-,6+,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Li...				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))	BDBM85132 (Isofagomine derivative, 8) Show SMILES CCCC1(CCC)NCC(O)C(O)C1CO Show InChI InChI=1S/C12H25NO3/c1-3-5-12(6-4-2)9(8-14)11(16)10(15)7-13-12/h9-11,13-16H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	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))	BDBM50383331 (CHEMBL2029768) Show SMILES O[C@@H]1CN[C@H](C=C)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C7H13NO3/c1-2-4-6(10)7(11)5(9)3-8-4/h2,4-11H,1,3H2/t4-,5-,6+,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.70E+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 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Li...				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))	BDBM50182798 ((3R,4r,5S)-piperidine-3,4,5-triol | 1,5-Dideoxy-1,...) Show SMILES O[C@H]1CNC[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.80E+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 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Li...				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
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM68271 (M-31850) Show SMILES CCCNCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C17H18N2O2/c1-2-9-18-10-11-19-16(20)13-7-3-5-12-6-4-8-14(15(12)13)17(19)21/h3-8,18H,2,9-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	25
Research Institute, Hospital for Sick Children					Assay Description Enzyme assay based on 4-MU substrates with HTS to identify inhibitory compounds for Hex.				Chem Biol 14: 153-64 (2007) Article DOI: 10.1016/j.chembiol.2006.12.006 BindingDB Entry DOI: 10.7270/Q25B00W8
					More data for this Ligand-Target Pair
Cytosolic beta-glucosidase (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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Inhibition of human cytosolic beta-glucosidase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 15 mins by fluorimetric analysis				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
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.0	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	7.0	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM68272 (LU79953) Show SMILES CCCNCCCNCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C20H25N3O2/c1-2-10-21-11-5-12-22-13-14-23-19(24)16-8-3-6-15-7-4-9-17(18(15)16)20(23)25/h3-4,6-9,21-22H,2,5,10-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	25
Research Institute, Hospital for Sick Children					Assay Description Enzyme assay based on 4-MU substrates with HTS to identify inhibitory compounds for Hex.				Chem Biol 14: 153-64 (2007) Article DOI: 10.1016/j.chembiol.2006.12.006 BindingDB Entry DOI: 10.7270/Q25B00W8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM84610 (5-(3,5-dichlorophenoxy)-N-(4-pyrdinyl)-2- furamide...) Show SMILES Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)Nc2ccncc2)c1 Show InChI InChI=1S/C16H10Cl2N2O3/c17-10-7-11(18)9-13(8-10)22-15-2-1-14(23-15)16(21)20-12-3-5-19-6-4-12/h1-9H,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	5.5	37
Research Institute, Hospital for Sick Children					Assay Description Beta-glucocerebrosidase (GCase) activity was measured by release of 4-methylumbelliferyl fluorophore from MUClc.				Chembiochem 9: 2650-62 (2008) Article DOI: 10.1002/cbic.200800304 BindingDB Entry DOI: 10.7270/Q2JQ0ZJK
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18046 (5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, ...) Show SMILES Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	5.5	37
Research Institute, Hospital for Sick Children					Assay Description Beta-glucocerebrosidase (GCase) activity was measured by release of 4-methylumbelliferyl fluorophore from MUClc.				Chembiochem 9: 2650-62 (2008) Article DOI: 10.1002/cbic.200800304 BindingDB Entry DOI: 10.7270/Q2JQ0ZJK
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50246569 (CHEMBL505422 | Methyl 6-[N2-dansyl-N6-(1,5-dideoxy...) Show SMILES COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r| Show InChI InChI=1S/C31H48N4O9S/c1-34(2)24-14-9-12-22-21(24)11-10-15-27(22)45(42,43)33-23(31(41)32-17-7-4-5-16-28(38)44-3)13-6-8-18-35-19-26(37)30(40)29(39)25(35)20-36/h9-12,14-15,23,25-26,29-30,33,36-37,39-40H,4-8,13,16-20H2,1-3H3,(H,32,41)/t23-,25+,26-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Graz Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta galactosidase				Bioorg Med Chem 16: 10216-20 (2008) Article DOI: 10.1016/j.bmc.2008.10.054 BindingDB Entry DOI: 10.7270/Q2DZ085J
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	4.5	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of HexA alpha G269S mutant in ATSD patient fibroblasts using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	4.5	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	4.5	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18788 (6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...) Show SMILES CCc1nc(N)nc(N)c1-c1ccccc1 Show InChI InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.0	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	4.5	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of HexA in normal human fibroblasts using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Homo sapiens (Human))	BDBM18788 (6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...) Show SMILES CCc1nc(N)nc(N)c1-c1ccccc1 Show InChI InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	7.0	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM50089680 (CHEMBL3577321) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C13H13F3N4/c1-2-9-10(11(17)20-12(18)19-9)7-3-5-8(6-4-7)13(14,15)16/h3-6H,2H2,1H3,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using pNPGlcNAc substrate				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha/beta (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of beta-N-acetylhexosaminidase (unknown origin)				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM68270 (5141402) Show SMILES OCCCN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C15H13NO3/c17-9-3-8-16-14(18)11-6-1-4-10-5-2-7-12(13(10)11)15(16)19/h1-2,4-7,17H,3,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	25
Research Institute, Hospital for Sick Children					Assay Description Enzyme assay based on 4-MU substrates with HTS to identify inhibitory compounds for Hex.				Chem Biol 14: 153-64 (2007) Article DOI: 10.1016/j.chembiol.2006.12.006 BindingDB Entry DOI: 10.7270/Q25B00W8
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using pNPGlcNAc substrate				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18780 (6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine ...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(OC)cc1 Show InChI InChI=1S/C13H16N4O/c1-3-10-11(12(14)17-13(15)16-10)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using pNPGlcNAc substrate				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM50089676 (CHEMBL3577317) Show SMILES CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H15ClN4/c1-2-3-10-11(12(15)18-13(16)17-10)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H4,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using pNPGlcNAc substrate				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM50106194 (1,3-dioxo-1H-benz[de]isoquinoline | 1,8-Naphthalim...) Show SMILES O=C1NC(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	25
Research Institute, Hospital for Sick Children					Assay Description Enzyme assay based on 4-MU substrates with HTS to identify inhibitory compounds for Hex.				Chem Biol 14: 153-64 (2007) Article DOI: 10.1016/j.chembiol.2006.12.006 BindingDB Entry DOI: 10.7270/Q25B00W8
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 74 total )  |  Next  |  Last  >>

Jump to: