Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50202567'   

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))	BDBM50202567 (1-deoxy-1-{2-chloro-6-[N'-(5-methyl-isoxazole-3-ca...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3cc(C)on3)nc(Cl)nc12 |r| Show InChI InChI=1S/C17H19ClN8O6/c1-3-19-15(30)11-9(27)10(28)16(31-11)26-5-20-8-12(21-17(18)22-13(8)26)23-24-14(29)7-4-6(2)32-25-7/h4-5,9-11,16,27-28H,3H2,1-2H3,(H,19,30)(H,24,29)(H,21,22,23)/t9-,10+,11-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+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]CGS-21680 from human adenosine A2A receptor expressed in CHO cells				J Med Chem 50: 374-80 (2007) Article DOI: 10.1021/jm061170a BindingDB Entry DOI: 10.7270/Q2F76DDP
					More data for this Ligand-Target Pair