Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50025238'   

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 (Homo sapiens (Human))	BDBM50025238 (CHEMBL71740 | N-Hydroxy-3-octyl-[1,2,4]oxadiazole-...) Show SMILES CCCCCCCCc1noc(n1)C(SCCN(CC)CC)N=O Show InChI InChI=1S/C17H32N4O2S/c1-4-7-8-9-10-11-12-15-18-16(23-20-15)17(19-22)24-14-13-21(5-2)6-3/h17H,4-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the concentration required for reversible inhibition of human acetylcholinesterase .				J Med Chem 29: 2174-83 (1986) BindingDB Entry DOI: 10.7270/Q2VQ31QK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50025238 (CHEMBL71740 | N-Hydroxy-3-octyl-[1,2,4]oxadiazole-...) Show SMILES CCCCCCCCc1noc(n1)C(SCCN(CC)CC)N=O Show InChI InChI=1S/C17H32N4O2S/c1-4-7-8-9-10-11-12-15-18-16(23-20-15)17(19-22)24-14-13-21(5-2)6-3/h17H,4-14H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the concentration required for reversible inhibition of eel acetylcholinesterase				J Med Chem 29: 2174-83 (1986) BindingDB Entry DOI: 10.7270/Q2VQ31QK
					More data for this Ligand-Target Pair