BDBM50396119 CHEMBL2171308

SMILES: CCCOc1ccc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)cc1OC

InChI Key: InChIKey=MPXQSLWIVILKJD-JQIJEIRASA-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 = 50396119   

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))	BDBM50396119 (CHEMBL2171308) Show SMILES CCCOc1ccc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C29H35N3O3/c1-3-19-35-26-15-13-21(20-27(26)34-2)14-16-28(33)30-17-8-18-31-29-22-9-4-6-11-24(22)32-25-12-7-5-10-23(25)29/h4,6,9,11,13-16,20H,3,5,7-8,10,12,17-19H2,1-2H3,(H,30,33)(H,31,32)/b16-14+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69.8	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method				J Med Chem 55: 4309-21 (2012) Article DOI: 10.1021/jm300106z BindingDB Entry DOI: 10.7270/Q21837N7
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50396119 (CHEMBL2171308) Show SMILES CCCOc1ccc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C29H35N3O3/c1-3-19-35-26-15-13-21(20-27(26)34-2)14-16-28(33)30-17-8-18-31-29-22-9-4-6-11-24(22)32-25-12-7-5-10-23(25)29/h4,6,9,11,13-16,20H,3,5,7-8,10,12,17-19H2,1-2H3,(H,30,33)(H,31,32)/b16-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40.3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method				J Med Chem 55: 4309-21 (2012) Article DOI: 10.1021/jm300106z BindingDB Entry DOI: 10.7270/Q21837N7
					More data for this Ligand-Target Pair