BDBM50088443 1-(5-(2-methoxyethoxy)pyridin-3-yl)-1,4-diazepane::1-[5-(2-Methoxy-ethoxy)-pyridin-3-yl]-[1,4]diazepane::CHEMBL72320

SMILES: COCCOc1cncc(c1)N1CCCNCC1

InChI Key: InChIKey=SIPSUTQRUBWRRD-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 = 50088443   

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))	BDBM50088443 (1-(5-(2-methoxyethoxy)pyridin-3-yl)-1,4-diazepane ...) Show SMILES COCCOc1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C13H21N3O2/c1-17-7-8-18-13-9-12(10-15-11-13)16-5-2-3-14-4-6-16/h9-11,14H,2-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.71E+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))	BDBM50088443 (1-(5-(2-methoxyethoxy)pyridin-3-yl)-1,4-diazepane ...) Show SMILES COCCOc1cncc(c1)N1CCCNCC1 Show InChI InChI=1S/C13H21N3O2/c1-17-7-8-18-13-9-12(10-15-11-13)16-5-2-3-14-4-6-16/h9-11,14H,2-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	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