Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50306342'   

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 (Electrophorus electricus (Electric eel))	BDBM50306342 (4-(4-Isopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-pi...) Show SMILES CC(C)c1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H30N2O2/c1-18(2)19-11-13-20(14-12-19)23(27)17-22(26-15-7-4-8-16-26)24(28)25-21-9-5-3-6-10-21/h3,5-6,9-14,18,22H,4,7-8,15-17H2,1-2H3,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 1181-93 (2010) Article DOI: 10.1016/j.bmc.2009.12.042 BindingDB Entry DOI: 10.7270/Q2ZW1M1J
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50306342 (4-(4-Isopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-pi...) Show SMILES CC(C)c1ccc(cc1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H30N2O2/c1-18(2)19-11-13-20(14-12-19)23(27)17-22(26-15-7-4-8-16-26)24(28)25-21-9-5-3-6-10-21/h3,5-6,9-14,18,22H,4,7-8,15-17H2,1-2H3,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem 18: 1181-93 (2010) Article DOI: 10.1016/j.bmc.2009.12.042 BindingDB Entry DOI: 10.7270/Q2ZW1M1J
					More data for this Ligand-Target Pair