Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50147655'   

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))	BDBM50147655 (CHEMBL323945 | [5-Amino-2-(5-bromo-furan-2-yl)-[1,...) Show SMILES CC1CCCN(C1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 Show InChI InChI=1S/C17H18BrN5O2/c1-10-3-2-6-22(9-10)17(24)11-7-14(19)23-15(8-11)20-16(21-23)12-4-5-13(18)25-12/h4-5,7-8,10H,2-3,6,9,19H2,1H3	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	3	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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