Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM522549'   

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))	BDBM522549 (US11161850, Example 18) Show SMILES CCn1nccc1-c1c(nc(N)c2cc(Cc3ccccn3)nn12)-c1cccc(c1)C#N |(3.66,3.95,;2.57,2.86,;1.09,3.26,;.61,4.73,;-.93,4.73,;-1.41,3.26,;-.16,2.36,;-.16,.82,;-1.49,.05,;-1.49,-1.49,;-.16,-2.26,;-.16,-3.8,;1.17,-1.49,;2.64,-1.97,;3.54,-.72,;5.08,-.72,;5.85,-2.06,;5.08,-3.39,;5.85,-4.73,;7.39,-4.73,;8.16,-3.39,;7.39,-2.06,;2.64,.52,;1.17,.05,;-2.83,.82,;-2.83,2.36,;-4.16,3.13,;-5.5,2.36,;-5.5,.82,;-4.16,.05,;-6.83,.05,;-8.16,-.72,)| 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
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