BDBM50234778 CHEMBL4088178

SMILES: Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3c(Cl)cccc3Cl)c12

InChI Key: InChIKey=WVVSTSGDMRUNIR-UHFFFAOYSA-N

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 = 50234778   

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))	BDBM50234778 (CHEMBL4088178) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3c(Cl)cccc3Cl)c12 Show InChI InChI=1S/C25H19Cl2N3O/c26-16-7-3-8-17(27)20(16)19-15-11-10-13-5-4-12-29-23(13)24(15)31-25-21(19)22(28)14-6-1-2-9-18(14)30-25/h3-5,7-8,10-12,19H,1-2,6,9H2,(H2,28,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair