Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50179388'   

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))	BDBM50179388 (CHEMBL3814259) Show SMILES CC(C)CCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O Show InChI InChI=1S/C18H23ClN2O/c1-13(2)8-9-21-14(3)10-17(11-18(21)22)20-12-15-4-6-16(19)7-5-15/h4-7,10-11,13,20H,8-9,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) Article DOI: 10.1016/j.bmc.2016.05.043 BindingDB Entry DOI: 10.7270/Q2NZ89J3
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