Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50065761'   

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))	BDBM50065761 ((E)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c...) Show SMILES Clc1ccc2nc(NC(=O)\C=C\c3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C22H14ClN5O2/c23-15-9-10-17-16(13-15)21-26-20(18-7-4-12-30-18)27-28(21)22(24-17)25-19(29)11-8-14-5-2-1-3-6-14/h1-13H,(H,24,25,29)/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680				J Med Chem 41: 2835-45 (1998) Article DOI: 10.1021/jm980094b BindingDB Entry DOI: 10.7270/Q25Q4V7D
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