Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50016809'   

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))	BDBM50016809 (CHEMBL3275133) Show SMILES [Cl-].Cc1c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H19N4O10P3S.ClH/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19;/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23);1H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 7 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016809 (CHEMBL3275133) Show SMILES [Cl-].Cc1c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H19N4O10P3S.ClH/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19;/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23);1H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	8.25	n/a
TBA Curated by ChEMBL					Assay Description Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016809 (CHEMBL3275133) Show SMILES [Cl-].Cc1c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H19N4O10P3S.ClH/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19;/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23);1H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 7 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50016809 (CHEMBL3275133) Show SMILES [Cl-].Cc1c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H19N4O10P3S.ClH/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19;/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23);1H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	8.25	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair