Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM522729'   

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))	BDBM522729 (US11161850, Example 87) Show SMILES Cc1nc(C(O)C(F)F)c(o1)-c1c(nc(N)c2nc(Cc3ccccn3)nn12)-c1cccc(C#N)c1F |(-1.84,5.35,;-.93,4.1,;.61,4.1,;1.09,2.64,;2.55,2.16,;3.32,.83,;3.69,3.19,;3.37,4.7,;5.16,2.72,;-.16,1.73,;-1.41,2.64,;-.16,.19,;-1.49,-.58,;-1.49,-2.12,;-.16,-2.89,;-.16,-4.43,;1.17,-2.12,;2.64,-2.59,;3.54,-1.35,;5.08,-1.35,;5.85,-2.68,;5.08,-4.01,;5.85,-5.35,;7.39,-5.35,;8.16,-4.01,;7.39,-2.68,;2.64,-.1,;1.17,-.58,;-2.83,.19,;-2.83,1.73,;-4.16,2.5,;-5.5,1.73,;-5.5,.19,;-6.83,-.58,;-8.16,-1.35,;-4.16,-.58,;-4.16,-2.12,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K077F8
					More data for this Ligand-Target Pair