BDBM50413479 CHEMBL500726

SMILES: C1CNCCN(C1)c1cnc2ccccc2c1

InChI Key: InChIKey=ITPXKRKCDRCWLZ-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50413479   

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 subunit alpha-4 (Homo sapiens (Human))	BDBM50413479 (CHEMBL500726) Show SMILES C1CNCCN(C1)c1cnc2ccccc2c1 Show InChI InChI=1S/C14H17N3/c1-2-5-14-12(4-1)10-13(11-16-14)17-8-3-6-15-7-9-17/h1-2,4-5,10-11,15H,3,6-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.63E+3	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay				J Med Chem 52: 2311-6 (2009) Article DOI: 10.1021/jm801060h BindingDB Entry DOI: 10.7270/Q2XK8GS0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50413479 (CHEMBL500726) Show SMILES C1CNCCN(C1)c1cnc2ccccc2c1 Show InChI InChI=1S/C14H17N3/c1-2-5-14-12(4-1)10-13(11-16-14)17-8-3-6-15-7-9-17/h1-2,4-5,10-11,15H,3,6-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.61	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells				J Med Chem 52: 2311-6 (2009) Article DOI: 10.1021/jm801060h BindingDB Entry DOI: 10.7270/Q2XK8GS0
					More data for this Ligand-Target Pair