Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50064040'   

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 (Rattus norvegicus (rat))	BDBM50064040 (CHEMBL3401006) Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccc(OC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C30H30N2O7/c1-35-26-18-25-27(29(37-3)28(26)36-2)23(33)17-24(39-25)21-9-11-22(12-10-21)38-30(34)32-15-13-31(14-16-32)19-20-7-5-4-6-8-20/h4-12,17-18H,13-16,19H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman method				Bioorg Med Chem 23: 668-80 (2015) Article DOI: 10.1016/j.bmc.2015.01.005 BindingDB Entry DOI: 10.7270/Q24T6M2R
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