Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM522459'   

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))	BDBM522459 (US11161850, Example 2) Show SMILES CCCn1nccc1-c1c(nc(N)c2cc(nn12)C(=O)NCC)-c1cccc(c1)C#N |(5.02,3.09,;3.53,3.49,;2.44,2.4,;.95,2.8,;.48,4.26,;-1.06,4.26,;-1.54,2.8,;-.29,1.9,;-.29,.36,;-1.63,-.41,;-1.63,-1.95,;-.29,-2.72,;-.29,-4.26,;1.04,-1.95,;2.5,-2.43,;3.41,-1.18,;2.5,.06,;1.04,-.41,;4.95,-1.18,;5.72,.15,;5.72,-2.52,;7.21,-2.12,;8.3,-3.21,;-2.96,.36,;-2.96,1.9,;-4.3,2.67,;-5.63,1.9,;-5.63,.36,;-4.3,-.41,;-6.96,-.41,;-8.3,-1.18,)| 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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