Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50198373'   

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 (Anopheles gambiae)	BDBM50198373 (CHEMBL3960962) Show SMILES C(Oc1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 Show InChI InChI=1S/C23H23NO/c1-2-6-20(7-3-1)18-25-23-12-10-19(11-13-23)16-24-15-14-21-8-4-5-9-22(21)17-24/h1-13H,14-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of Anopheles gambiae recombinant AChE1 expressed in baculovirus infected insect Sf9 cells using acetylthiocholine iodide as substrate meas...				J Med Chem 59: 9409-9421 (2016) Article DOI: 10.1021/acs.jmedchem.6b00967 BindingDB Entry DOI: 10.7270/Q2HM5BFB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50198373 (CHEMBL3960962) Show SMILES C(Oc1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 Show InChI InChI=1S/C23H23NO/c1-2-6-20(7-3-1)18-25-23-12-10-19(11-13-23)16-24-15-14-21-8-4-5-9-22(21)17-24/h1-13H,14-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay				J Med Chem 59: 9409-9421 (2016) Article DOI: 10.1021/acs.jmedchem.6b00967 BindingDB Entry DOI: 10.7270/Q2HM5BFB
					More data for this Ligand-Target Pair