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 = 'BDBM50125189'   

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))	BDBM50125189 (CHEMBL267191 | [5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-...) Show SMILES COC(=O)Nc1ccc(cn1)C1CC2CCC1N2 |THB:8:11:17:15.14| Show InChI InChI=1S/C13H17N3O2/c1-18-13(17)16-12-5-2-8(7-14-12)10-6-9-3-4-11(10)15-9/h2,5,7,9-11,15H,3-4,6H2,1H3,(H,14,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Strasbourg BP 24 Curated by ChEMBL					Assay Description In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor)				Bioorg Med Chem Lett 13: 1001-4 (2003) BindingDB Entry DOI: 10.7270/Q2WW7JV4
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