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SMILES: Cc1nc(C(O)C(F)F)c(o1)-c1c(nc(N)c2nc(Cc3ccccn3)nn12)-c1cccc(C#N)c1F

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 522729   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM522729
PNG
(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,)|
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<10n/an/an/an/an/an/an/an/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