BDBM50117583 1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylmethyl)-1-methyl-piperidinium::CHEMBL314989

SMILES:

InChI Key: InChIKey=MNJMLCSCGCADPC-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50117583   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50117583 (1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylmethyl)-...) Show SMILES Show InChI InChI=1S/C25H32NO3/c1-26(17-19-7-5-4-6-8-19)11-9-18(10-12-26)13-21-14-20-15-23(28-2)24(29-3)16-22(20)25(21)27/h4-8,15-16,18,21H,9-14,17H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	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) BindingDB Entry DOI: 10.7270/Q2CZ37Q4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50117583 (1-Benzyl-4-(5,6-dimethoxy-1-oxo-indan-2-ylmethyl)-...) Show SMILES Show InChI InChI=1S/C25H32NO3/c1-26(17-19-7-5-4-6-8-19)11-9-18(10-12-26)13-21-14-20-15-23(28-2)24(29-3)16-22(20)25(21)27/h4-8,15-16,18,21H,9-14,17H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	100	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) BindingDB Entry DOI: 10.7270/Q2CZ37Q4
					More data for this Ligand-Target Pair