BDBM50435954 CHEMBL2391653

SMILES: O=C(CN1CCN(CCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=IFYBWVINZZLKPU-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 = 50435954   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435954 (CHEMBL2391653) Show SMILES O=C(CN1CCN(CCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H32N4O4/c35-28(32-30-23-5-1-3-7-25(23)31-26-8-4-2-6-24(26)30)20-34-15-13-33(14-16-34)17-18-37-22-11-9-21-10-12-29(36)38-27(21)19-22/h1,3,5,7,9-12,19H,2,4,6,8,13-18,20H2,(H,31,32,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50435954 (CHEMBL2391653) Show SMILES O=C(CN1CCN(CCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H32N4O4/c35-28(32-30-23-5-1-3-7-25(23)31-26-8-4-2-6-24(26)30)20-34-15-13-33(14-16-34)17-18-37-22-11-9-21-10-12-29(36)38-27(21)19-22/h1,3,5,7,9-12,19H,2,4,6,8,13-18,20H2,(H,31,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	493	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