Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50060469'   

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))	BDBM50060469 (2,3-Dimethyl-1H-cyclopenta[b]quinolin-9-ylamine | ...) Show SMILES CC1=C(C)c2nc3ccccc3c(N)c2C1 |c:1| Show InChI InChI=1S/C14H14N2/c1-8-7-11-13(15)10-5-3-4-6-12(10)16-14(11)9(8)2/h3-6H,7H2,1-2H3,(H2,15,16)	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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50060469 (2,3-Dimethyl-1H-cyclopenta[b]quinolin-9-ylamine | ...) Show SMILES CC1=C(C)c2nc3ccccc3c(N)c2C1 |c:1| Show InChI InChI=1S/C14H14N2/c1-8-7-11-13(15)10-5-3-4-6-12(10)16-14(11)9(8)2/h3-6H,7H2,1-2H3,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description In vitro inhibition of acetylcholinesterase, isolated from rat brain.				J Med Chem 40: 3516-23 (1997) Article DOI: 10.1021/jm970150t BindingDB Entry DOI: 10.7270/Q25H7FC9
					More data for this Ligand-Target Pair