Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50475822'   

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))	BDBM50475822 (CHEMBL208066) Show SMILES Cc1ccc(s1)-c1ccc2C3CNCC(C3)Cn2c1=O Show InChI InChI=1S/C16H18N2OS/c1-10-2-5-15(20-10)13-3-4-14-12-6-11(7-17-8-12)9-18(14)16(13)19/h2-5,11-12,17H,6-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-4-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50475822 (CHEMBL208066) Show SMILES Cc1ccc(s1)-c1ccc2C3CNCC(C3)Cn2c1=O Show InChI InChI=1S/C16H18N2OS/c1-10-2-5-15(20-10)13-3-4-14-12-6-11(7-17-8-12)9-18(14)16(13)19/h2-5,11-12,17H,6-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat forebrain alpha4beta2 nACHR				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair