Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50053926'   

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))	BDBM50053926 (CHEMBL313422 | Pentanoic acid (9-chloro-2-furan-2-...) Show SMILES CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H16ClN5O2/c1-2-3-6-15(25)21-18-20-13-8-7-11(19)10-12(13)17-22-16(23-24(17)18)14-5-4-9-26-14/h4-5,7-10H,2-3,6H2,1H3,(H,20,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48.8	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 Displacement of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes				J Med Chem 39: 4142-8 (1996) Article DOI: 10.1021/jm960482i BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
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