Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50510840'   

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))	BDBM50510840 (CHEMBL4456928) Show SMILES C(Nc1c2CCCCc2nc2ccccc12)c1ccc(cc1)-c1ccc(CNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C40H38N4/c1-5-13-35-31(9-1)39(32-10-2-6-14-36(32)43-35)41-25-27-17-21-29(22-18-27)30-23-19-28(20-24-30)26-42-40-33-11-3-7-15-37(33)44-38-16-8-4-12-34(38)40/h1,3,5,7,9,11,13,15,17-24H,2,4,6,8,10,12,14,16,25-26H2,(H,41,43)(H,42,44)	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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human Acetylcholinesterase using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
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