Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50312804'   

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))	BDBM50312804 ((3aS,8aR)-3a,8-dimethyl-1-(3-phenylpropyl)-1,2,3,3...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C31H37N3O2/c1-22(2)24-12-14-25(15-13-24)32-30(35)36-26-16-17-28-27(21-26)31(3)18-20-34(29(31)33(28)4)19-8-11-23-9-6-5-7-10-23/h5-7,9-10,12-17,21-22,29H,8,11,18-20H2,1-4H3,(H,32,35)/t29-,31-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	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: 1718-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.057 BindingDB Entry DOI: 10.7270/Q2RV0NV4
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