Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50147827'   

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))	BDBM50147827 (CHEMBL3765569) Show SMILES NC1=C(C#N)C2(C(=O)Nc3ccc(cc23)[N+]([O-])=O)C(=C2NCCN12)[N+]([O-])=O |c:1,t:20| Show InChI InChI=1S/C15H11N7O5/c16-6-9-12(17)20-4-3-18-13(20)11(22(26)27)15(9)8-5-7(21(24)25)1-2-10(8)19-14(15)23/h1-2,5,18H,3-4,17H2,(H,19,23)	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	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) Article DOI: 10.1016/j.bmc.2016.02.019 BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair