Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor subunit epsilon' and Ligand = 'BDBM50516949'   

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
Acetylcholine receptor subunit epsilon (Homo sapiens (Human))	BDBM50516949 (CHEMBL4555431) Show SMILES Clc1ccccc1-c1n[nH]c(=S)n1[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C42H40ClN3O5S/c43-35-24-14-13-23-34(35)40-44-45-42(52)46(40)37-39(49-27-32-19-9-3-10-20-32)38(48-26-31-17-7-2-8-18-31)36(29-47-25-30-15-5-1-6-16-30)51-41(37)50-28-33-21-11-4-12-22-33/h1-24,36-39,41H,25-29H2,(H,45,52)/t36-,37-,38-,39-,41-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin)				Eur J Med Chem 180: 656-672 (2019) Article DOI: 10.1016/j.ejmech.2019.07.059 BindingDB Entry DOI: 10.7270/Q22B92D9
					More data for this Ligand-Target Pair