Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50454667'   

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))	BDBM50454667 (CHEMBL2112625) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)CCc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C24H30N6O4/c31-12-17-19(29-18(32)11-10-15-6-2-1-3-7-15)21(33)24(34-17)30-14-27-20-22(25-13-26-23(20)30)28-16-8-4-5-9-16/h1-3,6-7,13-14,16-17,19,21,24,31,33H,4-5,8-12H2,(H,29,32)(H,25,26,28)/t17-,19+,21-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
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