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SMILES: COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@]2(COC(=O)N2C)CC1

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 643785   
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM643785
PNG
(US11866405, Example 75)
Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@]2(COC(=O)N2C)CC1 |r,wU:23.26,wD:26.35,(3.76,1.74,;3.76,3.28,;2.43,4.05,;1.09,3.28,;-.24,4.05,;-1.71,3.57,;-2.61,4.82,;-1.71,6.06,;-.24,5.59,;1.09,6.36,;2.43,5.59,;3.76,6.36,;3.76,7.9,;5.09,5.59,;6.43,6.36,;6.59,7.89,;8.09,8.21,;8.86,6.87,;10.37,6.55,;10.85,5.09,;9.82,3.95,;8.31,4.26,;7.83,5.73,;-4.15,4.82,;-4.92,3.48,;-6.46,3.48,;-7.23,4.82,;-8.14,6.06,;-9.6,5.59,;-9.6,4.05,;-10.85,3.14,;-8.14,3.57,;-7.66,2.11,;-6.46,6.15,;-4.92,6.15,)|
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PC cid
PC sid
UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair