Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117623'   

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))	BDBM50117623 (1-Cyclobutylmethyl-4-[3-(5,6-dimethoxy-benzo[b]thi...) Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](CC2CCC2)cc1 Show InChI InChI=1S/C23H26NO3S/c1-26-20-12-18-13-23(28-22(18)14-21(20)27-2)19(25)7-6-16-8-10-24(11-9-16)15-17-4-3-5-17/h8-14,17H,3-7,15H2,1-2H3/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	40	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))	BDBM50117623 (1-Cyclobutylmethyl-4-[3-(5,6-dimethoxy-benzo[b]thi...) Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCc1cc[n+](CC2CCC2)cc1 Show InChI InChI=1S/C23H26NO3S/c1-26-20-12-18-13-23(28-22(18)14-21(20)27-2)19(25)7-6-16-8-10-24(11-9-16)15-17-4-3-5-17/h8-14,17H,3-7,15H2,1-2H3/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	1.72E+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