Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50221700'   

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))	BDBM50221700 (9-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethyl-6,7...) Show SMILES CC(C(O)c1ccccc1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |w:2.2,1.0| Show InChI InChI=1S/C19H23N5O3/c1-12(15(25)13-8-5-4-6-9-13)23-10-7-11-24-14-16(20-18(23)24)21(2)19(27)22(3)17(14)26/h4-6,8-9,12,15,25H,7,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+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
					More data for this Ligand-Target Pair