Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50273906'   

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))	BDBM50273906 (6-(4-Hydroxy-phenyl)-7-hydroxy-1,3-dipropyl-1Hpyrr...) Show SMILES CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C18H21N3O4/c1-3-9-20-15-14(17(24)21(10-4-2)18(20)25)19-13(16(15)23)11-5-7-12(22)8-6-11/h5-8,19,22-23H,3-4,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in human HeLa cells				Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B
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