Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50586079'   

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))	BDBM50586079 (CHEMBL5069796) Show SMILES OC[C@H]1O[C@@H](OCCCCc2cn(CCCc3ccc(O)c(\C=N\O)n3)nn2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	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	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant His-TEV-tagged human AChE expressed in CHO-K1 cells using acetylthiocholine iodide as substrate measured for 6 mins by Ellm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01748 BindingDB Entry DOI: 10.7270/Q29G5RQN
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