Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM226180'   

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))	BDBM226180 (Kaempferol 7-O-β-D-glucoside (4)) Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem		n/a	n/a	6.39E+4	n/a	n/a	n/a	n/a	8.0	25
Catholic University of Daegu					Assay Description Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a...				Bioorg Chem 72: 293-300 (2017) BindingDB Entry DOI: 10.7270/Q2Q52NH6
					More data for this Ligand-Target Pair