Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50221689'   

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))	BDBM50221689 (2-(1,3-dimethyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyr...) Show SMILES CC(C(OC(C)=O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0| Show InChI InChI=1S/C21H25N5O4/c1-13(17(30-14(2)27)15-9-6-5-7-10-15)25-11-8-12-26-16-18(22-20(25)26)23(3)21(29)24(4)19(16)28/h5-7,9-10,13,17H,8,11-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membrane				Bioorg Med Chem 15: 6956-74 (2007) Article DOI: 10.1016/j.bmc.2007.07.051 BindingDB Entry DOI: 10.7270/Q26W99TB
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