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SMILES: CCCOCc1ncc(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H](C3)N3CCN(C[C@@H]3C)C(=O)C3CCOC3)sc2c1

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 647499   
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))		BDBM647499
PNG
(US20240025893, Example b-04-25)
Show SMILES CCCOCc1ncc(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H](C3)N3CCN(C[C@@H]3C)C(=O)C3CCOC3)sc2c1 |r,wU:22.25,20.20,29.32,(15.34,-3.03,;14.01,-2.26,;12.67,-3.03,;11.34,-2.26,;10.01,-3.03,;8.67,-2.26,;7.34,-3.03,;6,-2.26,;6,-.72,;7.34,.05,;8.67,-.72,;4.67,.05,;4.67,1.59,;3.34,2.36,;2,1.59,;.54,2.06,;-.37,.82,;-1.91,.82,;-2.68,-.52,;-1.91,-1.85,;-4.22,-.52,;-5.31,.57,;-6.39,-.52,;-5.31,-1.61,;-7.93,-.52,;-8.7,.82,;-10.25,.82,;-11.01,-.52,;-10.25,-1.85,;-8.7,-1.85,;-7.93,-3.19,;-12.55,-.52,;-13.32,-1.85,;-13.32,.82,;-12.85,2.28,;-14.09,3.19,;-15.34,2.28,;-14.86,.82,;.54,-.43,;2,.05,;3.34,-.72,)|
PDB
MMDB

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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