Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50064023'   

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))	BDBM50064023 (CHEMBL3401014) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(OC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H28N2O7/c1-35-25-17-24-26(27(33)28(25)36-2)22(32)16-23(38-24)20-8-10-21(11-9-20)37-29(34)31-14-12-30(13-15-31)18-19-6-4-3-5-7-19/h3-11,16-17,33H,12-15,18H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.25E+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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