Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50375620'   

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))	BDBM50375620 (CHEMBL412284) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2ccc(OC)cc2)n1 Show InChI InChI=1S/C24H29N7O4/c1-5-11-29-22-20(23(33)30(12-6-2)24(29)34)26-21(27-22)18-13-15(3)31(28-18)14-19(32)25-16-7-9-17(35-4)10-8-16/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,25,32)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 16: 2419-30 (2008) Article DOI: 10.1016/j.bmc.2007.11.058 BindingDB Entry DOI: 10.7270/Q2J38TFD
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