BDBM50262879 3-hydroxy-5-(4-(3-hydroxy-5-(trimethylammonio)phenoxy)butoxy)-N,N,N-trimethylbenzenaminium iodide::CHEMBL477141

SMILES: C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc(c2)[N+](C)(C)C)c1

InChI Key: InChIKey=IFCAHYWTXKINIF-UHFFFAOYSA-P

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 = 50262879   

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))	BDBM50262879 (3-hydroxy-5-(4-(3-hydroxy-5-(trimethylammonio)phen...) Show SMILES C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc(c2)[N+](C)(C)C)c1 Show InChI InChI=1S/C22H32N2O4/c1-23(2,3)17-11-19(25)15-21(13-17)27-9-7-8-10-28-22-14-18(24(4,5)6)12-20(26)16-22/h11-16H,7-10H2,1-6H3/p+2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	715	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's method				Bioorg Med Chem 16: 7450-6 (2008) Article DOI: 10.1016/j.bmc.2008.06.022 BindingDB Entry DOI: 10.7270/Q2NC611F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50262879 (3-hydroxy-5-(4-(3-hydroxy-5-(trimethylammonio)phen...) Show SMILES C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc(c2)[N+](C)(C)C)c1 Show InChI InChI=1S/C22H32N2O4/c1-23(2,3)17-11-19(25)15-21(13-17)27-9-7-8-10-28-22-14-18(24(4,5)6)12-20(26)16-22/h11-16H,7-10H2,1-6H3/p+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bari Curated by ChEMBL					Assay Description Inhibition of bovine AChE by Ellman's method				Bioorg Med Chem 16: 7450-6 (2008) Article DOI: 10.1016/j.bmc.2008.06.022 BindingDB Entry DOI: 10.7270/Q2NC611F
					More data for this Ligand-Target Pair