BDBM50044472 CHEMBL3313966

SMILES: [Cl-].[Cl-].O=C(C[n+]1ccccc1)N\N=C\c1ccc(\C=N\NC(=O)C[n+]2ccccc2)cc1

InChI Key: InChIKey=NXRLTJHVRANPCV-UHFFFAOYSA-P

Data: 1 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 1 hit for monomerid = 50044472   

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))	BDBM50044472 (CHEMBL3313966) Show SMILES [Cl-].[Cl-].O=C(C[n+]1ccccc1)N\N=C\c1ccc(\C=N\NC(=O)C[n+]2ccccc2)cc1 Show InChI InChI=1S/C22H20N6O2/c29-21(17-27-11-3-1-4-12-27)25-23-15-19-7-9-20(10-8-19)16-24-26-22(30)18-28-13-5-2-6-14-28/h1-16H,17-18H2/p+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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description Inhibition of acetylcholine esterase (unknown origin)				Bioorg Med Chem 22: 4474-89 (2014) Article DOI: 10.1016/j.bmc.2014.04.019 BindingDB Entry DOI: 10.7270/Q29K4CW0
					More data for this Ligand-Target Pair