BDBM50449216 CHEMBL3127970

SMILES: CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C

InChI Key: InChIKey=IVEAMFQRMFQHLP-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50449216   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50449216 (CHEMBL3127970) Show SMILES CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H34N2O3/c1-3-31-27(30)26-19-23-18-24(11-12-25(23)28(26)2)32-17-7-10-21-13-15-29(16-14-21)20-22-8-5-4-6-9-22/h4-6,8-9,11-12,18-19,21H,3,7,10,13-17,20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				Eur J Med Chem 75: 82-95 (2014) Article DOI: 10.1016/j.ejmech.2013.12.028 BindingDB Entry DOI: 10.7270/Q22R3T4P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50449216 (CHEMBL3127970) Show SMILES CCOC(=O)c1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C Show InChI InChI=1S/C27H34N2O3/c1-3-31-27(30)26-19-23-18-24(11-12-25(23)28(26)2)32-17-7-10-21-13-15-29(16-14-21)20-22-8-5-4-6-9-22/h4-6,8-9,11-12,18-19,21H,3,7,10,13-17,20H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 ...				Eur J Med Chem 75: 82-95 (2014) Article DOI: 10.1016/j.ejmech.2013.12.028 BindingDB Entry DOI: 10.7270/Q22R3T4P
					More data for this Ligand-Target Pair