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SMILES: COc1nc(N[C@H]2C[C@@](C)(C2)NC(C)=O)nn2ccc(-c3ccc4nnn(C)c4c3)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 = 643394   
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))		BDBM643394
PNG
(US20240002391, Compound 206)
Show SMILES COc1nc(N[C@H]2C[C@@](C)(C2)NC(C)=O)nn2ccc(-c3ccc4nnn(C)c4c3)c12 |r,wU:8.11,wD:6.5,8.8,(-3.65,.72,;-2.32,-.05,;-2.32,-1.59,;-.98,-2.36,;-.98,-3.9,;.35,-4.67,;1.69,-3.9,;3.17,-4.3,;3.57,-2.81,;3.57,-1.27,;2.08,-2.41,;4.91,-2.04,;6.24,-2.81,;7.57,-2.04,;6.24,-4.35,;-2.32,-4.67,;-3.65,-3.9,;-5.11,-4.37,;-6.02,-3.13,;-5.11,-1.88,;-5.59,-.42,;-7.1,-.1,;-7.57,1.37,;-6.54,2.51,;-6.7,4.04,;-5.3,4.67,;-4.27,3.52,;-2.73,3.69,;-5.04,2.19,;-4.56,.73,;-3.65,-2.36,)|
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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