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SMILES: COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC2(C[C@@](C)(O)C2)CC1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 643772   
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))		BDBM643772
PNG
(US11866405, Example 6)
Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC2(C[C@@](C)(O)C2)CC1 |r,wU:23.26,28.32,wD:28.33,(3.59,2.06,;3.59,3.6,;2.25,4.37,;.92,3.6,;-.42,4.37,;-1.88,3.9,;-2.79,5.14,;-1.88,6.39,;-.42,5.91,;.92,6.68,;2.25,5.91,;3.59,6.68,;3.59,8.22,;4.92,5.91,;6.25,6.68,;6.41,8.21,;7.92,8.53,;8.69,7.2,;10.2,6.88,;10.67,5.42,;9.64,4.27,;8.14,4.59,;7.66,6.06,;-4.33,5.14,;-5.1,3.81,;-6.64,3.81,;-7.41,5.14,;-8.49,6.23,;-9.58,5.14,;-10.67,6.23,;-10.67,4.05,;-8.49,4.05,;-6.64,6.48,;-5.1,6.48,)|
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MMDB

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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