BDBM50377436 CHEMBL255304

SMILES: COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1O

InChI Key: InChIKey=MBOPPOJUEPKDPT-FYWRMAATSA-N

Data: 5 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 5 hits for monomerid = 50377436   

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))	BDBM50377436 (CHEMBL255304) Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C27H31N3O3/c1-33-25-18-19(12-14-24(25)31)13-15-26(32)28-16-6-7-17-29-27-20-8-2-4-10-22(20)30-23-11-5-3-9-21(23)27/h2,4,8,10,12-15,18,31H,3,5-7,9,11,16-17H2,1H3,(H,28,32)(H,29,30)/b15-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50377436 (CHEMBL255304) Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C27H31N3O3/c1-33-25-18-19(12-14-24(25)31)13-15-26(32)28-16-6-7-17-29-27-20-8-2-4-10-22(20)30-23-11-5-3-9-21(23)27/h2,4,8,10,12-15,18,31H,3,5-7,9,11,16-17H2,1H3,(H,28,32)(H,29,30)/b15-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.1	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50377436 (CHEMBL255304) Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C27H31N3O3/c1-33-25-18-19(12-14-24(25)31)13-15-26(32)28-16-6-7-17-29-27-20-8-2-4-10-22(20)30-23-11-5-3-9-21(23)27/h2,4,8,10,12-15,18,31H,3,5-7,9,11,16-17H2,1H3,(H,28,32)(H,29,30)/b15-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	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 by Ellman's method				Bioorg Med Chem Lett 22: 3181-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.046 BindingDB Entry DOI: 10.7270/Q2Z60Q2Z
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50377436 (CHEMBL255304) Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C27H31N3O3/c1-33-25-18-19(12-14-24(25)31)13-15-26(32)28-16-6-7-17-29-27-20-8-2-4-10-22(20)30-23-11-5-3-9-21(23)27/h2,4,8,10,12-15,18,31H,3,5-7,9,11,16-17H2,1H3,(H,28,32)(H,29,30)/b15-13+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	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))	BDBM50377436 (CHEMBL255304) Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C27H31N3O3/c1-33-25-18-19(12-14-24(25)31)13-15-26(32)28-16-6-7-17-29-27-20-8-2-4-10-22(20)30-23-11-5-3-9-21(23)27/h2,4,8,10,12-15,18,31H,3,5-7,9,11,16-17H2,1H3,(H,28,32)(H,29,30)/b15-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	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