Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50139876'   

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 (Rattus norvegicus (rat))	BDBM50139876 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H23N5O7S/c1-3-13-26-21-19(22(29)27(14-4-2)23(26)30)24-20(25-21)15-5-11-18(12-6-15)36(33,34)35-17-9-7-16(8-10-17)28(31)32/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]-MSX-2 from adenosine A2A receptor of rat brain striatal membranes				J Med Chem 47: 1031-43 (2004) Article DOI: 10.1021/jm0310030 BindingDB Entry DOI: 10.7270/Q2J38S05
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