Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50223060'   

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))	BDBM50223060 (3-(4-bromobenzyl)-2-butyl-1,3-diazaspiro[4,4]non-1...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(Br)cc1 |t:4| Show InChI InChI=1S/C18H23BrN2O/c1-2-3-6-16-20-18(11-4-5-12-18)17(22)21(16)13-14-7-9-15(19)10-8-14/h7-10H,2-6,11-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman colorimetric assay				Bioorg Med Chem 15: 7391-8 (2007) Article DOI: 10.1016/j.bmc.2007.07.014 BindingDB Entry DOI: 10.7270/Q2FB53R3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50223060 (3-(4-bromobenzyl)-2-butyl-1,3-diazaspiro[4,4]non-1...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(Br)cc1 |t:4| Show InChI InChI=1S/C18H23BrN2O/c1-2-3-6-16-20-18(11-4-5-12-18)17(22)21(16)13-14-7-9-15(19)10-8-14/h7-10H,2-6,11-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of human serum AChE by Ellman colorimetric assay				Bioorg Med Chem 15: 7391-8 (2007) Article DOI: 10.1016/j.bmc.2007.07.014 BindingDB Entry DOI: 10.7270/Q2FB53R3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50223060 (3-(4-bromobenzyl)-2-butyl-1,3-diazaspiro[4,4]non-1...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(Br)cc1 |t:4| Show InChI InChI=1S/C18H23BrN2O/c1-2-3-6-16-20-18(11-4-5-12-18)17(22)21(16)13-14-7-9-15(19)10-8-14/h7-10H,2-6,11-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE by Ellman colorimetric assay				Bioorg Med Chem 15: 7391-8 (2007) Article DOI: 10.1016/j.bmc.2007.07.014 BindingDB Entry DOI: 10.7270/Q2FB53R3
					More data for this Ligand-Target Pair