BDBM50449217 CHEMBL3127976

SMILES: Cn1c(CO)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12

InChI Key: InChIKey=GRSNPHJETKIVDS-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 = 50449217   

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))	BDBM50449217 (CHEMBL3127976) Show SMILES Cn1c(CO)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12 Show InChI InChI=1S/C25H32N2O2/c1-26-23(19-28)16-22-17-24(9-10-25(22)26)29-15-5-8-20-11-13-27(14-12-20)18-21-6-3-2-4-7-21/h2-4,6-7,9-10,16-17,20,28H,5,8,11-15,18-19H2,1H3	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))	BDBM50449217 (CHEMBL3127976) Show SMILES Cn1c(CO)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12 Show InChI InChI=1S/C25H32N2O2/c1-26-23(19-28)16-22-17-24(9-10-25(22)26)29-15-5-8-20-11-13-27(14-12-20)18-21-6-3-2-4-7-21/h2-4,6-7,9-10,16-17,20,28H,5,8,11-15,18-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	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