Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50266385'   

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))	BDBM50266385 (CHEMBL456073 | N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(...) Show SMILES CC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C16H22N6O/c1-10-8-12(3)22(20-10)16-18-14(17-13(4)23)9-15(19-16)21-7-5-6-11(21)2/h8-9,11H,5-7H2,1-4H3,(H,17,18,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				J Med Chem 52: 709-17 (2009) Article DOI: 10.1021/jm800908d BindingDB Entry DOI: 10.7270/Q2PG1RKR
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