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SMILES: CCNC(=O)c1cc2c(N)nc(-c3cccc(c3)C#N)c(-c3ccnn3CC)n2n1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 522454   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM522454 (US11161850, Example 1) Show SMILES CCNC(=O)c1cc2c(N)nc(-c3cccc(c3)C#N)c(-c3ccnn3CC)n2n1 |(8.16,-3.85,;7.39,-2.52,;5.85,-2.52,;5.08,-1.18,;5.85,.15,;3.54,-1.18,;2.64,-2.43,;1.17,-1.95,;-.16,-2.72,;-.16,-4.26,;-1.49,-1.95,;-1.49,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-4.16,-.41,;-6.83,-.41,;-8.16,-1.18,;-.16,.36,;-.16,1.9,;-1.41,2.8,;-.93,4.26,;.61,4.26,;1.09,2.8,;2.57,2.4,;3.66,3.49,;1.17,-.41,;2.64,.06,)| 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