Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50333152'   

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))	BDBM50333152 (5-Amino-2-(dimethylamino)-4-phenyl-6,7,8,9-tetrahy...) Show SMILES CN(C)c1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C21H21N5/c1-26(2)21-15(12-22)17(13-8-4-3-5-9-13)18-19(23)14-10-6-7-11-16(14)24-20(18)25-21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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))	BDBM50333152 (5-Amino-2-(dimethylamino)-4-phenyl-6,7,8,9-tetrahy...) Show SMILES CN(C)c1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N Show InChI InChI=1S/C21H21N5/c1-26(2)21-15(12-22)17(13-8-4-3-5-9-13)18-19(23)14-10-6-7-11-16(14)24-20(18)25-21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	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