Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50065768'   

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))	BDBM50065768 (CHEMBL330377 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...) Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3I)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C21H13ClIN5O2/c22-13-7-8-16-14(11-13)20-26-19(17-6-3-9-30-17)27-28(20)21(24-16)25-18(29)10-12-4-1-2-5-15(12)23/h1-9,11H,10H2,(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.2	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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