Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3' and Ligand = 'BDBM50498048'   

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-3/alpha-6/beta-2/beta-3 (Homo sapiens (Human))	BDBM50498048 (CHEMBL3329541) Show SMILES C[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting				Eur J Med Chem 86: 60-74 (2014) Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3 (Homo sapiens (Human))	BDBM50498048 (CHEMBL3329541) Show SMILES C[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay				Eur J Med Chem 86: 60-74 (2014) Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H
					More data for this Ligand-Target Pair