Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50312816'   

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))	BDBM50312816 ((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-3-yl)ethyl)-...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5cccnc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C29H34N4O2/c1-20(2)22-7-9-23(10-8-22)31-28(34)35-24-11-12-26-25(18-24)29(3)14-17-33(27(29)32(26)4)16-13-21-6-5-15-30-19-21/h5-12,15,18-20,27H,13-14,16-17H2,1-4H3,(H,31,34)/t27-,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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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