Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50166559'   

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))	BDBM50166559 (Butane-1-sulfonic acid {4-[(4-dimethylamino-quinaz...) Show SMILES CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 |(14.22,-3.39,;12.86,-4.13,;11.56,-3.32,;10.2,-4.04,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;7.56,-2.46,;6.21,-3.23,;4.88,-2.45,;4.9,-.91,;3.57,-.12,;2.24,-.89,;.91,-.12,;-.44,-.89,;-1.75,-.12,;-1.77,1.44,;-3.12,2.21,;-3.12,3.75,;-4.52,4.4,;-1.82,4.59,;-4.45,1.42,;-5.78,2.19,;-7.11,1.42,;-7.11,-.12,;-5.78,-.89,;-4.45,-.12,;-3.1,-.89,;2.22,-2.43,;3.55,-3.2,)| Show InChI InChI=1S/C22H35N5O2S/c1-4-5-14-30(28,29)24-16-18-12-10-17(11-13-18)15-23-22-25-20-9-7-6-8-19(20)21(26-22)27(2)3/h6-9,17-18,24H,4-5,10-16H2,1-3H3,(H,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912				Bioorg Med Chem Lett 15: 2565-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.052 BindingDB Entry DOI: 10.7270/Q2Z89BXQ
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