BDBM50435947 CHEMBL2391480

SMILES: O=C(CN1CCN(CCCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=RFMLTHAJELVKLQ-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 = 50435947   

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))	BDBM50435947 (CHEMBL2391480) Show SMILES O=C(CN1CCN(CCCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C38H40N4O4/c43-36(40-38-30-12-4-6-14-33(30)39-34-15-7-5-13-31(34)38)26-42-21-19-41(20-22-42)18-8-9-23-45-28-16-17-29-32(27-10-2-1-3-11-27)25-37(44)46-35(29)24-28/h1-4,6,10-12,14,16-17,24-25H,5,7-9,13,15,18-23,26H2,(H,39,40,43)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	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))	BDBM50435947 (CHEMBL2391480) Show SMILES O=C(CN1CCN(CCCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C38H40N4O4/c43-36(40-38-30-12-4-6-14-33(30)39-34-15-7-5-13-31(34)38)26-42-21-19-41(20-22-42)18-8-9-23-45-28-16-17-29-32(27-10-2-1-3-11-27)25-37(44)46-35(29)24-28/h1-4,6,10-12,14,16-17,24-25H,5,7-9,13,15,18-23,26H2,(H,39,40,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+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