Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50149364'   

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))	BDBM50149364 (4-Amino-2-(4-hydroxy-phenyl)-6-nitro-2H-[1,2,4]tri...) Show SMILES Nc1nc2c(cccc2n2c1nn(-c1ccc(O)cc1)c2=O)[N+]([O-])=O Show InChI InChI=1S/C15H10N6O4/c16-13-14-18-20(8-4-6-9(22)7-5-8)15(23)19(14)10-2-1-3-11(21(24)25)12(10)17-13/h1-7,22H,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membranes				J Med Chem 47: 3580-90 (2004) Article DOI: 10.1021/jm031136l BindingDB Entry DOI: 10.7270/Q2CV4JHH
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