Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50532202'   

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))	BDBM50532202 (CHEMBL4446441) Show SMILES C(Sc1nc2ccccc2[nH]1)c1cn(CC2CCN(Cc3ccccc3)CC2)nn1 Show InChI InChI=1S/C23H26N6S/c1-2-6-18(7-3-1)14-28-12-10-19(11-13-28)15-29-16-20(26-27-29)17-30-23-24-21-8-4-5-9-22(21)25-23/h1-9,16,19H,10-15,17H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured ...				Bioorg Med Chem 27: 931-943 (2019) Article DOI: 10.1016/j.bmc.2018.12.030 BindingDB Entry DOI: 10.7270/Q2XP78D7
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