Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50430656'   

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))	BDBM50430656 (CHEMBL2332548) Show SMILES O=C(C[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2ccccc12)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1 |r| Show InChI InChI=1S/C35H33N3O3/c39-32(21-28-20-29-14-9-17-38(29)35(28)30-15-7-8-16-31(30)36-34(35)41)37-22-26(18-24-10-3-1-4-11-24)33(40)27(23-37)19-25-12-5-2-6-13-25/h1-8,10-13,15-16,18-19,28-29H,9,14,17,20-23H2,(H,36,41)/b26-18+,27-19+/t28-,29-,35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide substrate by Ellman's method based spectrophotometry				Bioorg Med Chem 21: 1696-707 (2013) Article DOI: 10.1016/j.bmc.2013.01.066 BindingDB Entry DOI: 10.7270/Q2RJ4KVQ
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