Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50502563'   

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))	BDBM50502563 (CHEMBL4471659) Show SMILES NC12CC3CC(F)(CC(C1)c1cc(NC(=O)CCCNc4c5CCCCc5nc5cc(Cl)ccc45)ccc31)C2 |TLB:10:8:3.2.4:38,11:10:9:5.7.38,THB:36:37:9:5.7.38,4:3:9:5.7.38,4:5:9:3.2.37.10| Show InChI InChI=1S/C32H36ClFN4O/c33-21-7-9-25-28(12-21)38-27-5-2-1-4-24(27)30(25)36-11-3-6-29(39)37-22-8-10-23-19-14-31(34)15-20(26(23)13-22)17-32(35,16-19)18-31/h7-10,12-13,19-20H,1-6,11,14-18,35H2,(H,36,38)(H,37,39)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 20 mins followed by subst...				Eur J Med Chem 180: 613-626 (2019) Article DOI: 10.1016/j.ejmech.2019.07.051 BindingDB Entry DOI: 10.7270/Q2P55RRD
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