Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM193684'   

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 (Homo sapiens (Human))	BDBM193684 (N'-{(Z)-[4-(tert-butyl)phenyl]methylidene}-2-h...) Show SMILES CC(C)(C)c1ccc(\C=N/NC(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C18H20N2O2/c1-18(2,3)14-10-8-13(9-11-14)12-19-20-17(22)15-6-4-5-7-16(15)21/h4-12,21H,1-3H3,(H,20,22)/b19-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.51E+3	n/a	n/a	n/a	n/a	7.7	n/a
Hazara University					Assay Description Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added foll...				Bioorg Chem 68: 30-40 (2016) Article DOI: 10.1016/j.bioorg.2016.07.005 BindingDB Entry DOI: 10.7270/Q21C1VPD
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