Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50375482'   

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))	BDBM50375482 (CHEMBL409125) Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CC1 Show InChI InChI=1S/C21H17N3O3/c25-21(14-6-7-14)24-19-11-16(15-8-9-17-18(10-15)27-12-26-17)22-20(23-19)13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
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