BDBM50435945 CHEMBL2391479

SMILES: O=C(CN1CCN(CCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=LIGXGSONOCBWSR-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 = 50435945   

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))	BDBM50435945 (CHEMBL2391479) Show SMILES O=C(CN1CCN(CCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C37H38N4O4/c42-35(39-37-29-11-4-6-13-32(29)38-33-14-7-5-12-30(33)37)25-41-20-18-40(19-21-41)17-8-22-44-27-15-16-28-31(26-9-2-1-3-10-26)24-36(43)45-34(28)23-27/h1-4,6,9-11,13,15-16,23-24H,5,7-8,12,14,17-22,25H2,(H,38,39,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	887	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))	BDBM50435945 (CHEMBL2391479) Show SMILES O=C(CN1CCN(CCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C37H38N4O4/c42-35(39-37-29-11-4-6-13-32(29)38-33-14-7-5-12-30(33)37)25-41-20-18-40(19-21-41)17-8-22-44-27-15-16-28-31(26-9-2-1-3-10-26)24-36(43)45-34(28)23-27/h1-4,6,9-11,13,15-16,23-24H,5,7-8,12,14,17-22,25H2,(H,38,39,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	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