Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lysosomal acid glucosylceramidase' and Ligand = 'BDBM50318552'   

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))	BDBM50318552 ((1R,2S,3r,4R,5S,6s)-6-[2-(1-Octyl-1H-1,2,3-triazol...) Show SMILES CCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C18H34N4O5/c1-2-3-4-5-6-7-10-22-11-12(20-21-22)8-9-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-	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	5.59E+4	n/a	n/a	n/a	n/a	7.4	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry				J Med Chem 53: 5248-55 (2010) Article DOI: 10.1021/jm100198t BindingDB Entry DOI: 10.7270/Q2VH5PS1
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50318552 ((1R,2S,3r,4R,5S,6s)-6-[2-(1-Octyl-1H-1,2,3-triazol...) Show SMILES CCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C18H34N4O5/c1-2-3-4-5-6-7-10-22-11-12(20-21-22)8-9-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-	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	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry				J Med Chem 53: 5248-55 (2010) Article DOI: 10.1021/jm100198t BindingDB Entry DOI: 10.7270/Q2VH5PS1
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50318552 ((1R,2S,3r,4R,5S,6s)-6-[2-(1-Octyl-1H-1,2,3-triazol...) Show SMILES CCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C18H34N4O5/c1-2-3-4-5-6-7-10-22-11-12(20-21-22)8-9-19-13-14(23)16(25)18(27)17(26)15(13)24/h11,13-19,23-27H,2-10H2,1H3/t13-,14-,15+,16+,17-,18-	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	1.67E+5	n/a	n/a	n/a	n/a	5.2	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry				J Med Chem 53: 5248-55 (2010) Article DOI: 10.1021/jm100198t BindingDB Entry DOI: 10.7270/Q2VH5PS1
					More data for this Ligand-Target Pair