BDBM50041520 1,3-PROPYLENE-BIS-N,N''-SYN-4-PYRIDINIUMALDOXIME::Bispyridinium oxime(TMB)::CHEMBL32778::CHEMBL426113

SMILES: O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1

InChI Key: InChIKey=PRWZSCZFNNWUSR-UHFFFAOYSA-N

Data: 2 IC50  3 Kd  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 6 hits for monomerid = 50041520   

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))	BDBM50041520 (1,3-PROPYLENE-BIS-N,N''-SYN-4-PYRIDINIUMALDOXIME |...) Show SMILES O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-11H,1,6-7,12-13H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50041520 (1,3-PROPYLENE-BIS-N,N''-SYN-4-PYRIDINIUMALDOXIME |...) Show SMILES O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-11H,1,6-7,12-13H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.78E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50041520 (1,3-PROPYLENE-BIS-N,N''-SYN-4-PYRIDINIUMALDOXIME |...) Show SMILES O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-11H,1,6-7,12-13H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by modified Ellman's method				Bioorg Med Chem 19: 754-62 (2011) Article DOI: 10.1016/j.bmc.2010.12.021 BindingDB Entry DOI: 10.7270/Q2P2703H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50041520 (1,3-PROPYLENE-BIS-N,N''-SYN-4-PYRIDINIUMALDOXIME |...) Show SMILES O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-11H,1,6-7,12-13H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase by Ellman's method				Bioorg Med Chem Lett 24: 5743-8 (2014) Article DOI: 10.1016/j.bmcl.2014.10.055 BindingDB Entry DOI: 10.7270/Q28G8N9V
					More data for this Ligand-Target Pair
Cholinergic, muscarinic (GUINEA PIG)	BDBM50041520 (1,3-PROPYLENE-BIS-N,N''-SYN-4-PYRIDINIUMALDOXIME |...) Show SMILES O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-11H,1,6-7,12-13H2/q+2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholne receptor M2 of pig heart				J Med Chem 37: 1439-45 (1994) BindingDB Entry DOI: 10.7270/Q22F7P30
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50041520 (1,3-PROPYLENE-BIS-N,N''-SYN-4-PYRIDINIUMALDOXIME |...) Show SMILES O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-11H,1,6-7,12-13H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited human acetylcholinesterase assessed as dissociation constant				Bioorg Med Chem Lett 24: 5743-8 (2014) Article DOI: 10.1016/j.bmcl.2014.10.055 BindingDB Entry DOI: 10.7270/Q28G8N9V
					More data for this Ligand-Target Pair