Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysosomal acid glucosylceramidase' and Ligand = 'BDBM18452'   

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))	BDBM18452 (2-N-butyl-4-N-(5-chloro-2-methoxyphenyl)-6-(pyrrol...) Show SMILES CCCCNc1nc(Nc2cc(Cl)ccc2OC)nc(n1)N1CCCC1 Show InChI InChI=1S/C18H25ClN6O/c1-3-4-9-20-16-22-17(24-18(23-16)25-10-5-6-11-25)21-14-12-13(19)7-8-15(14)26-2/h7-8,12H,3-6,9-11H2,1-2H3,(H2,20,21,22,23,24)	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	7.77E+3	n/a	n/a	n/a	n/a	5.9	21
NIH					Assay Description Enzyme activity was determined as the production of fluorescent resorufin from the substrate. The fluorescence was measured (excitation 570 nm, emiss...				Bioorg Med Chem Lett 17: 5783-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.050 BindingDB Entry DOI: 10.7270/Q2Q81BBW
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