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SMILES: CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)[C@@H]3C[C@@H](C3)N(C)C)c2cc1C(N)=O

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 639221   
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))		BDBM639221
PNG
(4-(1-(cis-3-(dimethylamino)cyclobutyl)-1H-pyrazol-...)
Show SMILES CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(-c3cnn(c3)[C@@H]3C[C@@H](C3)N(C)C)c2cc1C(N)=O |r,wU:10.9,24.25,26.30,(4.97,5.8,;4.2,4.47,;4.97,3.14,;2.66,4.47,;1.89,3.14,;2.66,1.8,;1.89,.47,;2.66,-.86,;4.2,-.86,;4.97,-2.2,;6.51,-2.2,;7.42,-3.44,;8.88,-2.97,;8.88,-1.43,;10.21,-.66,;7.42,-.95,;1.89,-2.2,;.35,-2.2,;-.42,-.86,;-1.96,-.86,;-2.86,.38,;-4.33,-.09,;-4.33,-1.63,;-2.86,-2.11,;-5.66,-2.4,;-7.15,-2.01,;-7.55,-3.49,;-6.06,-3.89,;-8.88,-4.26,;-10.21,-3.49,;-8.88,-5.8,;.35,.47,;-.42,1.8,;.35,3.14,;-.42,4.47,;.35,5.8,;-1.96,4.47,)|
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair