Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM152508'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM152508 ((2-Bromo-4-hydroxyphenyl)(2,3-dihydroxyphenyl)meth...) Show SMILES Oc1ccc(C(=O)c2cccc(O)c2O)c(Br)c1 Show InChI InChI=1S/C13H9BrO4/c14-10-6-7(15)4-5-8(10)12(17)9-2-1-3-11(16)13(9)18/h1-6,15-16,18H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.75	n/a	4.84	n/a	n/a	n/a	n/a	8.0	n/a
Ataturk University					Assay Description AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 µL of Tris/HCl buffer (...				Bioorg Chem 60: 49-57 (2015) Article DOI: 10.1016/j.bioorg.2015.04.006 BindingDB Entry DOI: 10.7270/Q2930RW6
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