BDBM50405568 CHEMBL278742

SMILES: OCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1

InChI Key: InChIKey=TYEYLEJFLQBHDQ-MDZDMXLPSA-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 = 50405568   

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 (Rattus norvegicus (rat))	BDBM50405568 (CHEMBL278742) Show SMILES OCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1 Show InChI InChI=1S/C20H20NO/c22-16-4-13-21-14-11-17(12-15-21)9-10-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-12,14-15,22H,4,13,16H2/q+1/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) activity				J Med Chem 31: 117-21 (1988) BindingDB Entry DOI: 10.7270/Q2XD12VJ
					More data for this Ligand-Target Pair
Choline Acetyltransferase (RAT)	BDBM50405568 (CHEMBL278742) Show SMILES OCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1 Show InChI InChI=1S/C20H20NO/c22-16-4-13-21-14-11-17(12-15-21)9-10-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-12,14-15,22H,4,13,16H2/q+1/b10-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of choline acetyltransferase (ChAT) activity				J Med Chem 31: 117-21 (1988) BindingDB Entry DOI: 10.7270/Q2XD12VJ
					More data for this Ligand-Target Pair