BDBM50359510 CHEMBL1927130

SMILES: COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOc1cccc(O)c1

InChI Key: InChIKey=FYLMIGPBKYHVGJ-UHFFFAOYSA-O

Data: 3 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 3 hits for monomerid = 50359510   

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 (BChE) (Equus caballus (Horse))	BDBM50359510 (CHEMBL1927130) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOc1cccc(O)c1 Show InChI InChI=1S/C28H25NO6/c1-31-25-7-6-18-12-24-22-15-27-26(34-17-35-27)13-19(22)8-9-29(24)16-23(18)28(25)33-11-3-10-32-21-5-2-4-20(30)14-21/h2,4-7,12-16H,3,8-11,17H2,1H3/p+1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	898	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using acetylcholine as substrate preincubated for 15 mins by Ellman's method				Bioorg Med Chem 19: 7228-35 (2011) Article DOI: 10.1016/j.bmc.2011.09.040 BindingDB Entry DOI: 10.7270/Q23F4Q3K
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359510 (CHEMBL1927130) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOc1cccc(O)c1 Show InChI InChI=1S/C28H25NO6/c1-31-25-7-6-18-12-24-22-15-27-26(34-17-35-27)13-19(22)8-9-29(24)16-23(18)28(25)33-11-3-10-32-21-5-2-4-20(30)14-21/h2,4-7,12-16H,3,8-11,17H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	628	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine chloride as substrate preincubated for 15 mins by Ellman's method				Bioorg Med Chem 19: 7228-35 (2011) Article DOI: 10.1016/j.bmc.2011.09.040 BindingDB Entry DOI: 10.7270/Q23F4Q3K
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50359510 (CHEMBL1927130) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOc1cccc(O)c1 Show InChI InChI=1S/C28H25NO6/c1-31-25-7-6-18-12-24-22-15-27-26(34-17-35-27)13-19(22)8-9-29(24)16-23(18)28(25)33-11-3-10-32-21-5-2-4-20(30)14-21/h2,4-7,12-16H,3,8-11,17H2,1H3/p+1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method				Bioorg Med Chem 19: 7228-35 (2011) Article DOI: 10.1016/j.bmc.2011.09.040 BindingDB Entry DOI: 10.7270/Q23F4Q3K
					More data for this Ligand-Target Pair