BDBM50377437 CHEMBL255502

SMILES: COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O

InChI Key: InChIKey=WCIMPGNOMNOHJN-WYMLVPIESA-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 = 50377437   

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))	BDBM50377437 (CHEMBL255502) Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C26H29N3O3/c1-32-24-17-18(11-13-23(24)30)12-14-25(31)27-15-6-16-28-26-19-7-2-4-9-21(19)29-22-10-5-3-8-20(22)26/h2,4,7,9,11-14,17,30H,3,5-6,8,10,15-16H2,1H3,(H,27,31)(H,28,29)/b14-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.1	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))	BDBM50377437 (CHEMBL255502) Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C26H29N3O3/c1-32-24-17-18(11-13-23(24)30)12-14-25(31)27-15-6-16-28-26-19-7-2-4-9-21(19)29-22-10-5-3-8-20(22)26/h2,4,7,9,11-14,17,30H,3,5-6,8,10,15-16H2,1H3,(H,27,31)(H,28,29)/b14-12+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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))	BDBM50377437 (CHEMBL255502) Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C26H29N3O3/c1-32-24-17-18(11-13-23(24)30)12-14-25(31)27-15-6-16-28-26-19-7-2-4-9-21(19)29-22-10-5-3-8-20(22)26/h2,4,7,9,11-14,17,30H,3,5-6,8,10,15-16H2,1H3,(H,27,31)(H,28,29)/b14-12+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	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))	BDBM50377437 (CHEMBL255502) Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C26H29N3O3/c1-32-24-17-18(11-13-23(24)30)12-14-25(31)27-15-6-16-28-26-19-7-2-4-9-21(19)29-22-10-5-3-8-20(22)26/h2,4,7,9,11-14,17,30H,3,5-6,8,10,15-16H2,1H3,(H,27,31)(H,28,29)/b14-12+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56.7	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