Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50554717'   

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))	BDBM50554717 (CHEMBL4746231) Show SMILES CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AchE expressed in HEK293 cells using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
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