Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50237093'   

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))	BDBM50237093 (CHEMBL256546 | N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CCN3CCOCC3)c2)nc(n1)-c1ccc(C)o1 Show InChI InChI=1S/C28H32N6O4/c1-19-15-20(2)34(32-19)26-17-25(30-28(31-26)24-8-7-21(3)38-24)29-27(35)18-37-23-6-4-5-22(16-23)9-10-33-11-13-36-14-12-33/h4-8,15-17H,9-14,18H2,1-3H3,(H,29,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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				Bioorg Med Chem Lett 18: 1778-83 (2008) Article DOI: 10.1016/j.bmcl.2008.02.032 BindingDB Entry DOI: 10.7270/Q2VD6Z62
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