BDBM50377438 CHEMBL403083

SMILES: COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1O

InChI Key: InChIKey=BPEMBGATMVJEHW-ACCUITESSA-N

Data: 4 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 4 hits for monomerid = 50377438   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50377438 (CHEMBL403083) Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C25H27N3O3/c1-31-23-16-17(10-12-22(23)29)11-13-24(30)26-14-15-27-25-18-6-2-4-8-20(18)28-21-9-5-3-7-19(21)25/h2,4,6,8,10-13,16,29H,3,5,7,9,14-15H2,1H3,(H,26,30)(H,27,28)/b13-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37.5	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
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50377438 (CHEMBL403083) Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C25H27N3O3/c1-31-23-16-17(10-12-22(23)29)11-13-24(30)26-14-15-27-25-18-6-2-4-8-20(18)28-21-9-5-3-7-19(21)25/h2,4,6,8,10-13,16,29H,3,5,7,9,14-15H2,1H3,(H,26,30)(H,27,28)/b13-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34.1	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's assay				Bioorg Med Chem Lett 18: 2905-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.073 BindingDB Entry DOI: 10.7270/Q2M909KN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50377438 (CHEMBL403083) Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C25H27N3O3/c1-31-23-16-17(10-12-22(23)29)11-13-24(30)26-14-15-27-25-18-6-2-4-8-20(18)28-21-9-5-3-7-19(21)25/h2,4,6,8,10-13,16,29H,3,5,7,9,14-15H2,1H3,(H,26,30)(H,27,28)/b13-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38.6	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibition of electric eel AchE by Ellman's assay				Bioorg Med Chem Lett 18: 2905-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.073 BindingDB Entry DOI: 10.7270/Q2M909KN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50377438 (CHEMBL403083) Show SMILES COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C25H27N3O3/c1-31-23-16-17(10-12-22(23)29)11-13-24(30)26-14-15-27-25-18-6-2-4-8-20(18)28-21-9-5-3-7-19(21)25/h2,4,6,8,10-13,16,29H,3,5,7,9,14-15H2,1H3,(H,26,30)(H,27,28)/b13-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	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