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 = 'BDBM50498045'   

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))	BDBM50498045 (CHEMBL3329537) Show SMILES F[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	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))	BDBM50498045 (CHEMBL3329537) Show SMILES F[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8+/m0/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	62	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