null

SMILES: CCN(CC)CCNC(=NO)c1nc(no1)-c1ccccc1

InChI Key: InChIKey=FYNCKGGTBKKWCM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50025253   

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))	BDBM50025253 (CHEMBL69059 | N-(2-Diethylamino-ethyl)-N'-hydroxy-...) Show SMILES CCN(CC)CCNC(=NO)c1nc(no1)-c1ccccc1 |w:9.9| Show InChI InChI=1S/C15H21N5O2/c1-3-20(4-2)11-10-16-14(18-21)15-17-13(19-22-15)12-8-6-5-7-9-12/h5-9,21H,3-4,10-11H2,1-2H3,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reactivation of human acetylcholinesterase				J Med Chem 29: 2174-83 (1986) BindingDB Entry DOI: 10.7270/Q2VQ31QK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50025253 (CHEMBL69059 | N-(2-Diethylamino-ethyl)-N'-hydroxy-...) Show SMILES CCN(CC)CCNC(=NO)c1nc(no1)-c1ccccc1 |w:9.9| Show InChI InChI=1S/C15H21N5O2/c1-3-20(4-2)11-10-16-14(18-21)15-17-13(19-22-15)12-8-6-5-7-9-12/h5-9,21H,3-4,10-11H2,1-2H3,(H,16,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro reversible inhibition of eel acetylcholinesterase.				J Med Chem 29: 2174-83 (1986) BindingDB Entry DOI: 10.7270/Q2VQ31QK
					More data for this Ligand-Target Pair