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

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50599222   
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))		BDBM50599222
PNG
(CHEMBL5190644)
Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@]2(CCC(=O)N2C)CC1 |r,wU:23.26,26.30,(3.8,-3.23,;3.8,-1.69,;2.46,-.92,;1.14,-1.69,;-.19,-.93,;-1.65,-1.41,;-2.56,-.16,;-1.65,1.09,;-.19,.61,;1.14,1.38,;2.46,.61,;3.8,1.38,;3.8,2.92,;5.13,.61,;6.47,1.38,;6.63,2.91,;8.13,3.23,;8.9,1.9,;10.41,1.58,;10.89,.12,;9.86,-1.03,;8.35,-.71,;7.87,.76,;-4.1,-.16,;-4.87,-1.49,;-6.41,-1.49,;-7.18,-.16,;-8.09,-1.4,;-9.55,-.93,;-9.55,.61,;-10.89,1.38,;-8.09,1.09,;-7.69,2.57,;-6.41,1.18,;-4.87,1.18,)|
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PC cid
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n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00324
BindingDB Entry DOI: 10.7270/Q2W381C3
More data for this
Ligand-Target Pair