Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50312899'   

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))	BDBM50312899 (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(Cl)cc3)ccc12 |r| Show InChI InChI=1S/C27H28ClN3O2/c1-27-15-17-31(16-14-19-6-4-3-5-7-19)25(27)30(2)24-13-12-22(18-23(24)27)33-26(32)29-21-10-8-20(28)9-11-21/h3-13,18,25H,14-17H2,1-2H3,(H,29,32)/t25-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	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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