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SMILES: CCO[C@H]1CC[C@H](CC1)C#Cc1cnc(OC[C@@H]2CC(F)(F)C(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 639237   
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))		BDBM639237
PNG
(1-(((S)-4,4-difluoro-5-oxopyrrolidin-2-yl)methoxy)...)
Show SMILES CCO[C@H]1CC[C@H](CC1)C#Cc1cnc(OC[C@@H]2CC(F)(F)C(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:17.17,6.9,3.2,(-11.17,-.28,;-9.63,-.28,;-8.86,-1.62,;-7.32,-1.62,;-6.55,-.28,;-5.01,-.28,;-4.24,-1.62,;-5.01,-2.95,;-6.55,-2.95,;-2.7,-1.62,;-1.16,-1.62,;.38,-1.62,;1.15,-2.95,;2.69,-2.95,;3.46,-1.62,;5,-1.62,;5.77,-2.95,;7.31,-2.95,;8.22,-4.2,;9.68,-3.72,;11.17,-4.12,;10.45,-5.05,;9.68,-2.18,;11.02,-1.41,;8.22,-1.7,;2.69,-.28,;3.46,1.05,;2.69,2.39,;3.46,3.72,;5,3.72,;5.77,5.05,;5.77,2.39,;1.15,2.39,;.38,1.05,;1.15,-.28,;.38,3.72,;1.15,5.05,;-1.16,3.72,)|
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/a 3.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair