Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50232156'   

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))	BDBM50232156 (CHEMBL252345 | N-(2-furan-2-yl-6-pyrazol-1-yl-pyri...) Show SMILES O=C(CN1CCOCC1)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 Show InChI InChI=1S/C17H18N6O3/c24-16(12-22-6-9-25-10-7-22)19-14-11-15(23-5-2-4-18-23)21-17(20-14)13-3-1-8-26-13/h1-5,8,11H,6-7,9-10,12H2,(H,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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 recombinant adenosine A2A receptor expressed in HEK293 cells				J Med Chem 51: 400-6 (2008) Article DOI: 10.1021/jm070623o BindingDB Entry DOI: 10.7270/Q2WH2PQ9
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