Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50156667'   

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))	BDBM50156667 (5-((7R,9aS)-7-((bis(pyridin-2-ylmethyl)amino)methy...) Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN2C[C@@H](CN(Cc3ccccn3)Cc3ccccn3)CC[C@H]2C1 |r| Show InChI InChI=1S/C29H33N11O/c30-27-34-28(35-29-33-26(36-40(27)29)25-8-5-15-41-25)39-14-13-38-17-21(9-10-24(38)20-39)16-37(18-22-6-1-3-11-31-22)19-23-7-2-4-12-32-23/h1-8,11-12,15,21,24H,9-10,13-14,16-20H2,(H2,30,33,34,35,36)/t21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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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