Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50196128'   

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
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50196128 ((3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiper...) Show SMILES CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Juvantia Pharma Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells				J Med Chem 49: 6351-63 (2006) Article DOI: 10.1021/jm060262x BindingDB Entry DOI: 10.7270/Q2RB747B
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