Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM92552'   

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))	BDBM92552 (Coumarin analogue, 3j) Show SMILES COc1cc(CN=Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc(OC)c1OC |w:7.7| Show InChI InChI=1S/C22H19N3O5S/c1-27-18-8-13(9-19(28-2)20(18)29-3)11-23-25-22-24-16(12-31-22)15-10-14-6-4-5-7-17(14)30-21(15)26/h4-10,12H,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COMSATS Institute of Information Technology					Assay Description Inhibition assay using AChE and BuChE.				Chem Biol Drug Des 80: 605-15 (2012) Article DOI: 10.1111/j.1747-0285.2012.01435.x BindingDB Entry DOI: 10.7270/Q28P5Z3T
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