Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50366796'   

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))	BDBM50366796 (CHEMBL609440) Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccc(o2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H21N2O6S/c1-29-19-11-16-12-22(32-21(16)13-20(19)30-2)18(26)5-3-15-7-9-24(10-8-15)14-17-4-6-23(31-17)25(27)28/h4,6-13H,3,5,14H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Concentration required for the inhibition of acetylcholinesterase				Bioorg Med Chem Lett 12: 2569-72 (2002) BindingDB Entry DOI: 10.7270/Q28916C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50366796 (CHEMBL609440) Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](Cc2ccc(o2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H21N2O6S/c1-29-19-11-16-12-22(32-21(16)13-20(19)30-2)18(26)5-3-15-7-9-24(10-8-15)14-17-4-6-23(31-17)25(27)28/h4,6-13H,3,5,14H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.				Bioorg Med Chem Lett 12: 2569-72 (2002) BindingDB Entry DOI: 10.7270/Q28916C0
					More data for this Ligand-Target Pair