Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutral cholesterol ester hydrolase 1' and Ligand = 'BDBM50052766'   

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
Neutral cholesterol ester hydrolase 1 (Mus musculus (mouse))	BDBM50052766 (CHEMBL3318611) Show SMILES O=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cccn1 Show InChI InChI=1S/C22H24N4O2/c27-22(26-12-4-11-23-26)25-15-13-24(14-16-25)17-19-7-9-21(10-8-19)28-18-20-5-2-1-3-6-20/h1-12H,13-18H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...				Bioorg Med Chem 27: 1693-1703 (2019) Article DOI: 10.1016/j.bmc.2019.03.020 BindingDB Entry DOI: 10.7270/Q2RX9GCW
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