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SMILES: CCCOCc1ncc(cn1)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H](C3)N3CCN(C[C@@H]3C)C(=O)c3cc(C)nc(C)c3)cc2c1

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 647604   
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))		BDBM647604
PNG
(US20240025893, Example e-02-23)
Show SMILES CCCOCc1ncc(cn1)-c1ccn2nc(NC(=O)[C@@H]3C[C@@H](C3)N3CCN(C[C@@H]3C)C(=O)c3cc(C)nc(C)c3)cc2c1 |r,wU:20.20,22.25,29.32,(16.26,-3.85,;14.92,-3.08,;13.59,-3.85,;12.26,-3.08,;10.92,-3.85,;9.59,-3.08,;8.26,-3.85,;6.92,-3.08,;6.92,-1.54,;8.26,-.77,;9.59,-1.54,;5.59,-.77,;5.59,.77,;4.25,1.54,;2.92,.77,;1.46,1.25,;.55,,;-.99,,;-1.76,-1.33,;-.99,-2.67,;-3.3,-1.33,;-4.39,-.24,;-5.48,-1.33,;-4.39,-2.42,;-7.02,-1.33,;-7.79,,;-9.33,,;-10.1,-1.33,;-9.33,-2.67,;-7.79,-2.67,;-7.02,-4,;-11.64,-1.33,;-12.41,-2.67,;-12.41,,;-11.64,1.33,;-12.41,2.67,;-11.64,4,;-13.95,2.67,;-14.72,1.33,;-16.26,1.33,;-13.95,,;1.46,-1.25,;2.92,-.77,;4.25,-1.54,)|
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PC cid
PC sid
UniChem
n/an/a 0.880n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair