Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50179024'   

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 (Rattus norvegicus (rat))	BDBM50179024 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-methox...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(OC)cc3)ncnc12 Show InChI InChI=1S/C20H22N6O6/c1-3-21-19(30)15-13(27)14(28)20(32-15)26-9-24-12-16(22-8-23-17(12)26)25-18(29)10-4-6-11(31-2)7-5-10/h4-9,13-15,20,27-28H,3H2,1-2H3,(H,21,30)(H,22,23,25,29)/t13-,14+,15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.				J Med Chem 41: 3174-85 (1998) Article DOI: 10.1021/jm980147p BindingDB Entry DOI: 10.7270/Q2765G10
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