Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50210780'   

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))	BDBM50210780 (CHEMBL3949066) Show SMILES Fc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H24F2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincubated ...				Eur J Med Chem 125: 430-434 (2017) Article DOI: 10.1016/j.ejmech.2016.09.051 BindingDB Entry DOI: 10.7270/Q2RJ4MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50210780 (CHEMBL3949066) Show SMILES Fc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H24F2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Non-competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincuba...				Eur J Med Chem 125: 430-434 (2017) Article DOI: 10.1016/j.ejmech.2016.09.051 BindingDB Entry DOI: 10.7270/Q2RJ4MG6
					More data for this Ligand-Target Pair