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SMILES: CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)[C@H]3CC[C@](C)(O)CC3)c2cc1C(N)=O

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 639256   
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))		BDBM639256
PNG
(1-(((S)-4,4-difluoro-5-oxopyrrolidin-2-yl)methoxy)...)
Show SMILES CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)[C@H]3CC[C@](C)(O)CC3)c2cc1C(N)=O |r,wU:10.9,26.27,29.31,wD:29.32,(4.45,5.94,;3.68,4.6,;4.45,3.27,;2.14,4.6,;1.37,3.27,;2.14,1.94,;1.37,.6,;2.14,-.73,;3.68,-.73,;4.45,-2.07,;5.99,-2.07,;6.9,-3.31,;8.36,-2.84,;9.85,-3.23,;9.13,-4.17,;8.36,-1.3,;9.69,-.53,;6.9,-.82,;1.37,-2.07,;-.17,-2.07,;-.94,-.73,;-2.48,-.73,;-3.38,.51,;-4.85,.04,;-4.85,-1.5,;-3.38,-1.98,;-6.18,-2.27,;-5.78,-3.76,;-6.87,-4.85,;-8.36,-4.45,;-8.76,-5.94,;-9.85,-4.85,;-8.76,-2.96,;-7.67,-1.87,;-.17,.6,;-.94,1.94,;-.17,3.27,;-.94,4.6,;-.17,5.94,;-2.48,4.6,)|
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PC cid
PC sid
UniChem
n/an/a 3.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair