Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50099595'   

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))	BDBM50099595 (CHEMBL3343884) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H31N5O/c1-19-28-23(20-10-2-5-13-24(20)35-28)18-27(33-19)30(36)32-17-9-8-16-31-29-21-11-3-6-14-25(21)34-26-15-7-4-12-22(26)29/h2-3,5-6,10-11,13-14,18,35H,4,7-9,12,15-17H2,1H3,(H,31,34)(H,32,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	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))	BDBM50099595 (CHEMBL3343884) Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H31N5O/c1-19-28-23(20-10-2-5-13-24(20)35-28)18-27(33-19)30(36)32-17-9-8-16-31-29-21-11-3-6-14-25(21)34-26-15-7-4-12-22(26)29/h2-3,5-6,10-11,13-14,18,35H,4,7-9,12,15-17H2,1H3,(H,31,34)(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	325	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