Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50051675'   

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))	BDBM50051675 (2-Phenyl-9-((S)-1-p-tolyl-ethyl)-9H-pyrimido[4,5-b...) Show SMILES C[C@@H](c1ccc(C)cc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C25H22N4/c1-16-12-14-18(15-13-16)17(2)29-21-11-7-6-10-20(21)22-23(26)27-24(28-25(22)29)19-8-4-3-5-9-19/h3-15,17H,1-2H3,(H2,26,27,28)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Radioligand binding assay for [3H]-NECA affinity towards adenosine A2A receptor of rat striatum				J Med Chem 39: 2482-91 (1996) Article DOI: 10.1021/jm960011w BindingDB Entry DOI: 10.7270/Q27H1HPH
					More data for this Ligand-Target Pair