Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50147638'   

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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50147638 (CHEMBL324077 | [5-Amino-2-(5-bromo-furan-2-yl)-[1,...) Show SMILES Nc1cc(cc2nc(nn12)-c1ccc(Br)o1)C(=O)N1CCCCC1 Show InChI InChI=1S/C16H16BrN5O2/c17-12-5-4-11(24-12)15-19-14-9-10(8-13(18)22(14)20-15)16(23)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd Curated by ChEMBL					Assay Description Binding affinity against human Adenosine A2a receptor (hA2a)				Bioorg Med Chem Lett 14: 3307-12 (2004) Article DOI: 10.1016/j.bmcl.2004.03.104 BindingDB Entry DOI: 10.7270/Q2VD6XWM
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