Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50099570'   

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))	BDBM50099570 (CHEMBL3343885) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H35N5O/c1-21-30-25(22-12-4-7-15-26(22)37-30)20-29(35-21)32(38)34-19-11-3-2-10-18-33-31-23-13-5-8-16-27(23)36-28-17-9-6-14-24(28)31/h4-5,7-8,12-13,15-16,20,37H,2-3,6,9-11,14,17-19H2,1H3,(H,33,36)(H,34,38)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50099570 (CHEMBL3343885) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H35N5O/c1-21-30-25(22-12-4-7-15-26(22)37-30)20-29(35-21)32(38)34-19-11-3-2-10-18-33-31-23-13-5-8-16-27(23)36-28-17-9-6-14-24(28)31/h4-5,7-8,12-13,15-16,20,37H,2-3,6,9-11,14,17-19H2,1H3,(H,33,36)(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method				Bioorg Med Chem 22: 6089-104 (2014) Article DOI: 10.1016/j.bmc.2014.08.035 BindingDB Entry DOI: 10.7270/Q2M61N1Z
					More data for this Ligand-Target Pair