Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50499694'   

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 (Homo sapiens (Human))	BDBM50499694 (CHEMBL3739476) Show SMILES Cl.[H][C@]12CN(CCCCCC)C(=N)N1Cc1ccccc1C2 |r| Show InChI InChI=1S/C17H25N3.ClH/c1-2-3-4-7-10-19-13-16-11-14-8-5-6-9-15(14)12-20(16)17(19)18;/h5-6,8-9,16,18H,2-4,7,10-13H2,1H3;1H/t16-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting				Eur J Med Chem 106: 15-25 (2015) Article DOI: 10.1016/j.ejmech.2015.10.030 BindingDB Entry DOI: 10.7270/Q2K64N3P
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