Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50024305'   

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))	BDBM50024305 (CHEMBL2112982) Show SMILES [H][C@@]12C=Cc3cc(OC)ccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:2,14| Show InChI InChI=1S/C26H29N3O2/c1-30-22-10-12-23-21(18-22)9-11-24-25(31-27-26(23)24)19-29-16-14-28(15-17-29)13-5-8-20-6-3-2-4-7-20/h2-12,18,24-25H,13-17,19H2,1H3/b8-5+/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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 Binding affinity for alpha-2A adrenergic receptor				J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC
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