Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50470476'   

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))	BDBM50470476 (CHEMBL4284249) Show SMILES CNc1ncc(C(=O)NC(C)(C)Cc2ccccc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C21H22N6O2/c1-21(2,12-14-8-5-4-6-9-14)25-19(28)15-13-23-20(22-3)27-18(15)24-17(26-27)16-10-7-11-29-16/h4-11,13H,12H2,1-3H3,(H,22,23)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	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 cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
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