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SMILES: COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H]1CC[C@@H](O)C1

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 643863   
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))		BDBM643863
PNG
(US11866405, Example 114)
Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H]1CC[C@@H](O)C1 |r,wU:33.37,wD:23.26,26.33,36.41,(5.61,-9.99,;5.61,-8.45,;4.27,-7.68,;2.94,-8.45,;1.61,-7.68,;.14,-8.16,;-.76,-6.91,;.14,-5.66,;1.61,-6.14,;2.94,-5.37,;4.27,-6.14,;5.61,-5.37,;5.61,-3.83,;6.94,-6.14,;8.27,-5.37,;8.44,-3.84,;9.94,-3.52,;10.71,-4.85,;12.22,-5.17,;12.69,-6.64,;11.66,-7.78,;10.16,-7.46,;9.68,-6,;-2.3,-6.91,;-3.07,-8.24,;-4.61,-8.24,;-5.38,-6.91,;-4.61,-5.58,;-3.07,-5.58,;-6.92,-6.91,;-7.69,-5.58,;-7.69,-8.24,;-6.92,-9.58,;-9.23,-8.24,;-10.24,-7.08,;-11.66,-7.68,;-11.53,-9.21,;-12.69,-10.22,;-10.03,-9.56,)|
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PC cid
PC sid
UniChem
n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair