Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50224362'   

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 (Homo sapiens (Human))	BDBM50224362 (1-benzyl-3-(1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-c...) Show SMILES O=C(NCc1ccccc1)Nc1nc2ccccc2n2n1nc(-c1ccccc1)c2=O Show InChI InChI=1S/C23H18N6O2/c30-21-20(17-11-5-2-6-12-17)27-29-22(25-18-13-7-8-14-19(18)28(21)29)26-23(31)24-15-16-9-3-1-4-10-16/h1-14H,15H2,(H2,24,25,26,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
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