Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50312894'   

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))	BDBM50312894 (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)Nc3ccc(cc3)C(C)(C)C)ccc12 |r| Show InChI InChI=1S/C31H37N3O2/c1-30(2,3)23-11-13-24(14-12-23)32-29(35)36-25-15-16-27-26(21-25)31(4)18-20-34(28(31)33(27)5)19-17-22-9-7-6-8-10-22/h6-16,21,28H,17-20H2,1-5H3,(H,32,35)/t28-,31-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	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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