Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50156602'   

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))	BDBM50156602 ((7RS,9aSR)-2-furan-2-yl-5-(7-phenoxymethyl-octahyd...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@H](COc3ccccc3)CC[C@H]2C1 |r| Show InChI InChI=1S/C23H26N8O2/c24-21-26-22(27-23-25-20(28-31(21)23)19-7-4-12-32-19)30-11-10-29-13-16(8-9-17(29)14-30)15-33-18-5-2-1-3-6-18/h1-7,12,16-17H,8-11,13-15H2,(H2,24,25,26,27,28)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	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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