Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50506810'   

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))	BDBM50506810 (CHEMBL4453856) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(CCCO)C3)ccc12 Show InChI InChI=1S/C20H27NO4/c1-14-15(2)20(23)25-19-11-17(6-7-18(14)19)24-13-16-5-3-8-21(12-16)9-4-10-22/h6-7,11,16,22H,3-5,8-10,12-13H2,1-2H3	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant AChE by Ellman's spectrophotometric assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01784 BindingDB Entry DOI: 10.7270/Q2BG2SWG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50506810 (CHEMBL4453856) Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(CCCO)C3)ccc12 Show InChI InChI=1S/C20H27NO4/c1-14-15(2)20(23)25-19-11-17(6-7-18(14)19)24-13-16-5-3-8-21(12-16)9-4-10-22/h6-7,11,16,22H,3-5,8-10,12-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method				Eur J Med Chem 161: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2018.10.016 BindingDB Entry DOI: 10.7270/Q2X351QR
					More data for this Ligand-Target Pair