Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50053932'   

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))	BDBM50053932 (9-Chloro-2-furan-2-yl-6-propyl-6H-[1,2,4]triazolo[...) Show SMILES CCCn1c2ccc(Cl)cc2c2nc(nn2c1=O)-c1ccco1 Show InChI InChI=1S/C16H13ClN4O2/c1-2-7-20-12-6-5-10(17)9-11(12)15-18-14(13-4-3-8-23-13)19-21(15)16(20)22/h3-6,8-9H,2,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.96E+3	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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