Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50173175'   

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))	BDBM50173175 ((8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazi...) Show SMILES Nc1nc(cn2nc(nc12)-c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H21N7O2/c22-18-20-24-19(17-7-4-12-30-17)25-28(20)14-16(23-18)21(29)27-10-8-26(9-11-27)13-15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec, Inc. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]-ZM-241,385 compared to SCH-58261 (Ki=37 nM)				Bioorg Med Chem Lett 15: 4809-13 (2005) Article DOI: 10.1016/j.bmcl.2005.07.052 BindingDB Entry DOI: 10.7270/Q24Q7TJV
					More data for this Ligand-Target Pair