Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50333159'   

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))	BDBM50333159 (5-Amino-7-benzyl-2-chloro-6,7,8,9-tetrahydropyrido...) Show SMILES Nc1c2CN(Cc3ccccc3)CCc2nc2nc(Cl)c(cc12)C#N Show InChI InChI=1S/C19H16ClN5/c20-18-13(9-21)8-14-17(22)15-11-25(10-12-4-2-1-3-5-12)7-6-16(15)23-19(14)24-18/h1-5,8H,6-7,10-11H2,(H2,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50333159 (5-Amino-7-benzyl-2-chloro-6,7,8,9-tetrahydropyrido...) Show SMILES Nc1c2CN(Cc3ccccc3)CCc2nc2nc(Cl)c(cc12)C#N Show InChI InChI=1S/C19H16ClN5/c20-18-13(9-21)8-14-17(22)15-11-25(10-12-4-2-1-3-5-12)7-6-16(15)23-19(14)24-18/h1-5,8H,6-7,10-11H2,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method				Bioorg Med Chem 19: 122-33 (2011) Article DOI: 10.1016/j.bmc.2010.11.040 BindingDB Entry DOI: 10.7270/Q22R3RX5
					More data for this Ligand-Target Pair