Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50312892'   

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
Cholinesterase (Mus musculus (Mouse))	BDBM50312892 (3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...) Show SMILES CCCCCCNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C27H37N3O2/c1-4-5-6-10-17-28-26(31)32-22-13-14-24-23(20-22)27(2)16-19-30(25(27)29(24)3)18-15-21-11-8-7-9-12-21/h7-9,11-14,20,25H,4-6,10,15-19H2,1-3H3,(H,28,31)/t25-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of mouse serum BChE 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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