Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50173165'   

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))	BDBM50173165 (CHEMBL194323 | N'-(4,5-Dihydro-oxazol-2-yl)-N-(3-m...) Show SMILES COc1cccc(c1)N(N=C1NCCO1)c1ccc(C)cc1 |w:9.9| Show InChI InChI=1S/C17H19N3O2/c1-13-6-8-14(9-7-13)20(19-17-18-10-11-22-17)15-4-3-5-16(12-15)21-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells				Bioorg Med Chem Lett 15: 4691-5 (2005) Article DOI: 10.1016/j.bmcl.2005.07.083 BindingDB Entry DOI: 10.7270/Q2D799ZF
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