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SMILES: COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@]2(CN(C)C(=O)C2)CC1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 643809   
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))		BDBM643809
PNG
(US11866405, Example 87)
Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@]2(CN(C)C(=O)C2)CC1 |r,wU:23.26,26.30,(3.8,-3.24,;3.8,-1.7,;2.47,-.93,;1.13,-1.7,;-.2,-.93,;-1.66,-1.4,;-2.57,-.16,;-1.66,1.09,;-.2,.61,;1.13,1.38,;2.47,.61,;3.8,1.38,;3.9,2.93,;5.14,.61,;6.47,1.38,;6.63,2.92,;8.14,3.24,;8.91,1.9,;10.41,1.58,;10.89,.12,;9.86,-1.03,;8.35,-.71,;7.88,.76,;-4.11,-.16,;-4.88,-1.49,;-6.42,-1.49,;-7.19,-.16,;-8.09,1.09,;-9.56,.61,;-10.89,1.58,;-9.56,-.93,;-10.89,-1.89,;-8.09,-1.4,;-6.42,1.18,;-4.88,1.18,)|
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PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair