Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50156597'   

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))	BDBM50156597 (7-((7R,9aS)-7-(aminomethyl)-hexahydro-1H-pyrido[1,...) Show SMILES NC[C@H]1CC[C@H]2CN(CCN2C1)c1cc2nc(nn2c(N)n1)-c1ccco1 |r| Show InChI InChI=1S/C18H24N8O/c19-9-12-3-4-13-11-25(6-5-24(13)10-12)15-8-16-21-17(14-2-1-7-27-14)23-26(16)18(20)22-15/h1-2,7-8,12-13H,3-6,9-11,19H2,(H2,20,22)/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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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