Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50507219'   

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))	BDBM50507219 (CHEMBL4540355) Show SMILES COc1c(cc(Cl)c2[nH]c(cc12)[Si](C)(C)C)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C27H35ClN2O2Si/c1-32-27-21(16-23(28)26-22(27)17-25(29-26)33(2,3)4)24(31)11-10-19-12-14-30(15-13-19)18-20-8-6-5-7-9-20/h5-9,16-17,19,29H,10-15,18H2,1-4H3	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	275	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at ...				Eur J Med Chem 162: 234-248 (2019) Article DOI: 10.1016/j.ejmech.2018.10.064 BindingDB Entry DOI: 10.7270/Q2T72MRJ
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