Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50331017'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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 (Rattus norvegicus (Rat))	BDBM50331017 (3-(6-benzyl-6-azabicyclo[3.2.1]oct-3-en-3-yl)quino...) Show SMILES C(N1CC2CC1C=C(C2)c1cnc2ccccc2c1)c1ccccc1 |c:7,(-5.87,-18.12,;-4.53,-17.36,;-4.2,-15.8,;-2.81,-15.04,;-2.88,-13.53,;-3.47,-16.6,;-1.98,-16.53,;-.9,-17.3,;-1.29,-15.71,;.43,-18.07,;.43,-19.61,;1.77,-20.38,;3.1,-19.6,;4.43,-20.37,;5.77,-19.6,;5.76,-18.05,;4.42,-17.29,;3.1,-18.06,;1.76,-17.3,;-7.2,-17.34,;-7.18,-15.8,;-8.51,-15.02,;-9.85,-15.78,;-9.86,-17.33,;-8.53,-18.1,)| Show InChI InChI=1S/C23H22N2/c1-2-6-17(7-3-1)15-25-16-18-10-20(13-22(25)11-18)21-12-19-8-4-5-9-23(19)24-14-21/h1-9,12-14,18,22H,10-11,15-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	29.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair