BDBM50367852 CHEMBL538352

SMILES: Cn1cc[n+](COC[n+]2ccccc2CN=O)c1CN=O

InChI Key: InChIKey=FHLSXUBVOCPIMW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50367852   

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 (Electrophorus electricus (Electric eel))	BDBM50367852 (CHEMBL538352) Show SMILES Cn1cc[n+](COC[n+]2ccccc2CN=O)c1CN=O Show InChI InChI=1S/C13H17N5O3/c1-16-6-7-18(13(16)9-15-20)11-21-10-17-5-3-2-4-12(17)8-14-19/h2-7H,8-11H2,1H3/q+2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of eel acetylcholinesterase (AChE) activity by 50%				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50367852 (CHEMBL538352) Show SMILES Cn1cc[n+](COC[n+]2ccccc2CN=O)c1CN=O Show InChI InChI=1S/C13H17N5O3/c1-16-6-7-18(13(16)9-15-20)11-21-10-17-5-3-2-4-12(17)8-14-19/h2-7H,8-11H2,1H3/q+2	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	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).				J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB
					More data for this Ligand-Target Pair