BDBM50082104 CHEMBL3422589

SMILES: C1CN(CCO1)c1ccc(nn1)-c1ccc2[nH]ccc2c1

InChI Key: InChIKey=LHSSCZKSNLGEIL-UHFFFAOYSA-N

Data: 1 KI

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 = 50082104   

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
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50082104 (CHEMBL3422589) Show SMILES C1CN(CCO1)c1ccc(nn1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C16H16N4O/c1-2-14-13(5-6-17-14)11-12(1)15-3-4-16(19-18-15)20-7-9-21-10-8-20/h1-6,11,17H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting				Eur J Med Chem 95: 277-301 (2015) Article DOI: 10.1016/j.ejmech.2015.03.025 BindingDB Entry DOI: 10.7270/Q2DN46RR
					More data for this Ligand-Target Pair