Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50196131'   

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))	BDBM50196131 (CHEMBL217202 | [4-(3,4-dimethylpiperazin-1-yl)phen...) Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)cnc3ccccc23)cc1 Show InChI InChI=1S/C22H26N4/c1-16-14-23-21-7-5-4-6-20(21)22(16)24-18-8-10-19(11-9-18)26-13-12-25(3)17(2)15-26/h4-11,14,17H,12-13,15H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	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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