Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50156637'   

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))	BDBM50156637 ((7RS,9aSR)-N5-[2-(5-chloro-1-methyl-3-trifluoromet...) Show SMILES Nc1nc(NC[C@H]2CC[C@@H]3CN(CCN3C2)c2ncccn2)nc2nc(nn12)-c1ccco1 |r| Show InChI InChI=1S/C21H25N11O/c22-18-27-19(28-21-26-17(29-32(18)21)16-3-1-10-33-16)25-11-14-4-5-15-13-31(9-8-30(15)12-14)20-23-6-2-7-24-20/h1-3,6-7,10,14-15H,4-5,8-9,11-13H2,(H3,22,25,26,27,28,29)/t14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	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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