Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50410667'   

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))	BDBM50410667 (CHEMBL201750) Show SMILES COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C23H21BrN4O5/c1-27-18-11-17(26-21(18)22(30)28(2)23(27)31)16-9-8-15(10-19(16)32-3)33-12-20(29)25-14-6-4-13(24)5-7-14/h4-11,26H,12H2,1-3H3,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity to recombinant human adenosine A2A receptor				J Med Chem 49: 282-99 (2006) Article DOI: 10.1021/jm0506221 BindingDB Entry DOI: 10.7270/Q29K4CF5
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