Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50100134'   

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))	BDBM50100134 (2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...) Show SMILES CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+3	-34.2	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50100134 (2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...) Show SMILES CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University					Assay Description Inhibition constant using AChE or BuChE.				Biochemistry 51: 7046-53 (2012) Article DOI: 10.1021/bi300955k BindingDB Entry DOI: 10.7270/Q2J101R6
					More data for this Ligand-Target Pair