Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-2/beta-2' and Ligand = 'BDBM50475408'   

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-2/beta-2 (Rattus norvegicus (Rat))	BDBM50475408 (CHEMBL382533) Show SMILES Cc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:20:18.17| Show InChI InChI=1S/C18H19FN2/c1-11-3-2-4-12(7-11)16-8-13(10-20-18(16)19)15-9-14-5-6-17(15)21-14/h2-4,7-8,10,14-15,17,21H,5-6,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine				Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62
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