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SMILES: COc1nc(NC2CCC(C)(CC2)C#N)nn2ccc(-c3cnc4nccn4c3)c12

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 = 643658   
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM643658
PNG
(US20240002391, Compound 948)
Show SMILES COc1nc(NC2CCC(C)(CC2)C#N)nn2ccc(-c3cnc4nccn4c3)c12 |(-1.95,-5.27,;-.62,-4.5,;-.62,-2.96,;.71,-2.19,;.71,-.65,;2.05,.12,;2.05,1.66,;.71,2.43,;.71,3.97,;2.05,4.74,;2.77,6.1,;3.38,3.97,;3.38,2.43,;1.32,6.1,;.6,7.46,;-.62,.12,;-1.95,-.65,;-3.42,-.17,;-4.32,-1.42,;-3.42,-2.67,;-3.9,-4.13,;-2.87,-5.28,;-3.34,-6.74,;-4.85,-7.06,;-5.62,-8.39,;-7.12,-8.07,;-7.28,-6.54,;-5.88,-5.92,;-5.4,-4.45,;-1.95,-2.19,)|
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PC cid
PC sid
UniChem
n/an/an/an/a 0.400n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair