Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50179040'   

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))	BDBM50179040 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3nncs3)ncnc12 Show InChI InChI=1S/C15H17N9O5S/c1-2-16-12(27)9-7(25)8(26)13(29-9)24-4-19-6-10(17-3-18-11(6)24)21-14(28)22-15-23-20-5-30-15/h3-5,7-9,13,25-26H,2H2,1H3,(H,16,27)(H2,17,18,21,22,23,28)/t7-,8+,9-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	917	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
					More data for this Ligand-Target Pair