Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50312903'   

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 (Mus musculus (mouse))	BDBM50312903 (3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...) Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NCCc3ccccc3)ccc12 |r| Show InChI InChI=1S/C29H33N3O2/c1-29-17-20-32(19-16-23-11-7-4-8-12-23)27(29)31(2)26-14-13-24(21-25(26)29)34-28(33)30-18-15-22-9-5-3-6-10-22/h3-14,21,27H,15-20H2,1-2H3,(H,30,33)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of mouse brain AChE after 1 hr by modified Ellman's colorimetric method				Bioorg Med Chem Lett 20: 1721-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.035 BindingDB Entry DOI: 10.7270/Q27S7NWW
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