Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 4976   

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))	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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM84609 (7,8-diethoxy-quinazoline 2,4-diamine, 1b) Show SMILES CCOc1ccc2c(N)nc(N)nc2c1OCC Show InChI InChI=1S/C12H16N4O2/c1-3-17-8-6-5-7-9(10(8)18-4-2)15-12(14)16-11(7)13/h5-6H,3-4H2,1-2H3,(H4,13,14,15,16)	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	2.20E+4	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))	BDBM84608 (2,4-diamino-6-nitro-quinazoline, 1a) Show SMILES Nc1nc(N)c2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C8H7N5O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H,(H4,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.10E+4	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))	BDBM84611 (2-methyl-N-pyridin-4-yl-benzamide, 2a) Show SMILES Cc1ccccc1C(=O)Nc1ccncc1 Show InChI InChI=1S/C13H12N2O/c1-10-4-2-3-5-12(10)13(16)15-11-6-8-14-9-7-11/h2-9H,1H3,(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	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))	BDBM84612 (2,2-dimethyl-N-(4-pyridinyl)propanamide, 2b) Show SMILES CC(C)(C)C(=O)Nc1ccncc1 Show InChI InChI=1S/C10H14N2O/c1-10(2,3)9(13)12-8-4-6-11-7-5-8/h4-7H,1-3H3,(H,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+5	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