BDBM50117587 1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylidenemethyl)-pyridinium::CHEMBL86863

SMILES: COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC

InChI Key: InChIKey=UCJOMTSRQPQWLO-UDWIEESQSA-N

Data: 2 IC50  1 EC50

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 = 50117587   

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
Cholinesterases (Homo sapiens (Human))	BDBM50117587 (1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylidenemet...) Show SMILES COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H22NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-12,14-15H,13,16H2,1-2H3/q+1/b20-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Organon Laboratories Ltd Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.				Bioorg Med Chem Lett 12: 2565-8 (2002) Article DOI: 10.1016/s0960-894x(02)00482-1 BindingDB Entry DOI: 10.7270/Q2CZ37Q4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50117587 (1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylidenemet...) Show SMILES COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H22NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-12,14-15H,13,16H2,1-2H3/q+1/b20-12+	UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s...				Eur J Med Chem 133: 184-196 (2017)
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50117587 (1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylidenemet...) Show SMILES COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H22NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-12,14-15H,13,16H2,1-2H3/q+1/b20-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ...				Eur J Med Chem 133: 184-196 (2017)
					More data for this Ligand-Target Pair