Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor' and Ligand = 'BDBM50230391'   

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/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50230391 (CHEMBL164540) Show SMILES OC(=O)C(O)=O.CC(c1ncc[nH]1)c1ccc2ccccc2c1 Show InChI InChI=1S/C15H14N2.C2H2O4/c1-11(15-16-8-9-17-15)13-7-6-12-4-2-3-5-14(12)10-13;3-1(4)2(5)6/h2-11H,1H3,(H,16,17);(H,3,4)(H,5,6)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Compound was evaluated for Adrenergic activity against Alpha-2 adrenergic receptor in human platelets				J Med Chem 35: 750-5 (1992) BindingDB Entry DOI: 10.7270/Q27H1MTJ
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