Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50047983'   

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))	BDBM50047983 (CHEMBL3314880) Show SMILES O=C(Nc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C25H21N7O3/c33-23(26-14-13-17-8-3-1-4-9-17)19-16-27-24(30-25(34)28-18-10-5-2-6-11-18)32-22(19)29-21(31-32)20-12-7-15-35-20/h1-12,15-16H,13-14H2,(H,26,33)(H2,27,28,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 57: 6210-25 (2014) Article DOI: 10.1021/jm500752h BindingDB Entry DOI: 10.7270/Q2FT8NPS
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