Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50156651'   

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))	BDBM50156651 ((7RS,9aRS)-N5-[2-(2,4-difluorobenzyl)octahydropyri...) Show SMILES Nc1nc(NC[C@@H]2CC[C@@H]3CN(Cc4ccc(F)cc4F)CCN3C2)nc2nc(nn12)-c1ccco1 |r| Show InChI InChI=1S/C24H27F2N9O/c25-17-5-4-16(19(26)10-17)13-33-7-8-34-12-15(3-6-18(34)14-33)11-28-23-30-22(27)35-24(31-23)29-21(32-35)20-2-1-9-36-20/h1-2,4-5,9-10,15,18H,3,6-8,11-14H2,(H3,27,28,29,30,31,32)/t15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
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