null

SMILES: Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCc2c[nH]c3ccccc23)C1

InChI Key: InChIKey=QSEWXFZTLZIVSA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50419839   

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/beta-2 (Homo sapiens (Human))	BDBM50419839 (CHEMBL1950522) Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCc2c[nH]c3ccccc23)C1 |(1.63,7.77,;2.54,6.53,;4.07,6.53,;4.54,5.07,;6.01,4.6,;3.31,4.17,;2.07,5.07,;.52,5.08,;3.31,2.64,;4.64,1.87,;4.64,.32,;3.31,-.44,;1.98,.33,;1.98,1.87,;.65,2.65,;.66,4.19,;-.68,1.88,;-2.02,2.65,;-3.35,1.89,;-4.68,2.67,;-6.01,1.89,;-6.01,.35,;-4.68,-.41,;-4.68,-1.95,;-3.35,-2.72,;-3.35,-4.26,;-4.6,-5.17,;-4.12,-6.63,;-2.58,-6.63,;-1.56,-7.77,;-.05,-7.45,;.42,-5.98,;-.61,-4.85,;-2.11,-5.17,;-3.35,.35,)| Show InChI InChI=1S/C28H31N3O4/c1-19-15-26(32)31(27(19)33)25-11-5-3-9-23(25)28(34)35-18-20-7-6-13-30(17-20)14-12-21-16-29-24-10-4-2-8-22(21)24/h2-5,8-11,15-16,20,29,32-33H,6-7,12-14,17-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair