Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50242982'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242982 (CHEMBL4071803) Show SMILES CN1CC2C(C(=O)N(C2=O)c2ccc(F)cc2)C11C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H15FN2O4/c1-23-10-15-16(20(28)24(19(15)27)12-8-6-11(22)7-9-12)21(23)17(25)13-4-2-3-5-14(13)18(21)26/h2-9,15-16H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...				Bioorg Med Chem Lett 27: 3071-3075 (2017) Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS
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