Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50131362'   

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))	BDBM50131362 (7,8-Dimethoxy-3-(4-phenethyl-piperazin-1-ylmethyl)...) Show SMILES COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC |c:27| Show InChI InChI=1S/C25H31N3O4/c1-29-22-14-19-21(15-23(22)30-2)31-17-20-24(32-26-25(19)20)16-28-12-10-27(11-13-28)9-8-18-6-4-3-5-7-18/h3-7,14-15,20,24H,8-13,16-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine				Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC
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