Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2B adrenergic receptor' and Ligand = 'BDBM50196129'   

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-2B adrenergic receptor (Homo sapiens (Human))	BDBM50196129 (CHEMBL214996 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...) Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1 Show InChI InChI=1S/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)25-23-20-6-4-5-7-22(20)24-17(2)21(23)15-28/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 ADRA2B 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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