Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50093085'   

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))	BDBM50093085 (CHEMBL3586582) Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE by Lineweaver-Burk plot				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50093085 (CHEMBL3586582) Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093085 (CHEMBL3586582) Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair