Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50275856'   

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))	BDBM50275856 (CHEMBL471853 | N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)...) Show SMILES CCN1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C Show InChI InChI=1S/C23H28N6O2/c1-5-28-10-9-20(14-28)31-19-8-6-7-18(12-19)21-13-22(24-17(4)30)26-23(25-21)29-16(3)11-15(2)27-29/h6-8,11-13,20H,5,9-10,14H2,1-4H3,(H,24,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 5402-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.048 BindingDB Entry DOI: 10.7270/Q28K78ZG
					More data for this Ligand-Target Pair