BDBM50435952 CHEMBL2391485

SMILES: O=C(CN1CCN(CCCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=XAPQIBLRQAOZQR-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 = 50435952   

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))	BDBM50435952 (CHEMBL2391485) Show SMILES O=C(CN1CCN(CCCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H40N4O4/c39-32(36-34-27-9-3-5-11-29(27)35-30-12-6-4-10-28(30)34)24-38-20-18-37(19-21-38)17-7-1-2-8-22-41-26-15-13-25-14-16-33(40)42-31(25)23-26/h3,5,9,11,13-16,23H,1-2,4,6-8,10,12,17-22,24H2,(H,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...				Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435952 (CHEMBL2391485) Show SMILES O=C(CN1CCN(CCCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H40N4O4/c39-32(36-34-27-9-3-5-11-29(27)35-30-12-6-4-10-28(30)34)24-38-20-18-37(19-21-38)17-7-1-2-8-22-41-26-15-13-25-14-16-33(40)42-31(25)23-26/h3,5,9,11,13-16,23H,1-2,4,6-8,10,12,17-22,24H2,(H,35,36,39)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...				Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW
					More data for this Ligand-Target Pair