BDBM50333782 4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium dibromide::4-carbamoyl-1-(3-(4-((hydroxyimino)methyl)pyridinium-1-yl)propyl)pyridinium bromide::4-carbamoyl-1-(3-(4-((hydroxyimino)methyl)pyridinium-1-yl)propyl)pyridinium dibromide::CHEMBL397871

SMILES: NC(=O)c1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1

InChI Key: InChIKey=YTLZKYJTTLZMBF-UHFFFAOYSA-O

Data: 1 KI  1 IC50  1 Kd

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 = 50333782   

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))	BDBM50333782 (4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methy...) Show SMILES NC(=O)c1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H17N4O2/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21/h2-5,8-11H,1,6-7,12H2,(H-,16,20)/q+1/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research and Occupational Health Curated by ChEMBL					Assay Description Reversible inhibition of human erythrocytic AChE using acetylthiocholine iodide as substrate measured up to 2 mins by spectrophotometric method				J Med Chem 61: 10753-10766 (2018) Article DOI: 10.1021/acs.jmedchem.8b01398 BindingDB Entry DOI: 10.7270/Q2HD7Z9P
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50333782 (4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methy...) Show SMILES NC(=O)c1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H17N4O2/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21/h2-5,8-11H,1,6-7,12H2,(H-,16,20)/q+1/p+1	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	4.00E+4	n/a	n/a	n/a	n/a	n/a
Pt. Ravishankar Shukla University Curated by ChEMBL					Assay Description Binding affinity to paraoxon-inhibited AChE (unknown origin)				Bioorg Med Chem Lett 24: 4743-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.095 BindingDB Entry DOI: 10.7270/Q2RR20TJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50333782 (4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methy...) Show SMILES NC(=O)c1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H17N4O2/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21/h2-5,8-11H,1,6-7,12H2,(H-,16,20)/q+1/p+1	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	7.11E+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