Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50200336'   

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 (Bos taurus (bovine))	BDBM50200336 ((-)-(7S,11S)-huprine H5) Show SMILES CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(C)ccc2c1N |t:2| Show InChI InChI=1S/C19H22N2/c1-3-12-7-13-9-14(8-12)18-17(10-13)21-16-6-11(2)4-5-15(16)19(18)20/h4-7,13-14H,3,8-10H2,1-2H3,(H2,20,21)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE				J Med Chem 49: 6833-40 (2006) Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S
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