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SMILES: COCC(=O)N[C@@]1(C)C[C@@H](C1)Nc1nc(OC)c2c(ccn2n1)-c1ccc2nnn(C)c2c1

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 = 643396   
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))		BDBM643396
PNG
(US20240002391, Compound 208)
Show SMILES COCC(=O)N[C@@]1(C)C[C@@H](C1)Nc1nc(OC)c2c(ccn2n1)-c1ccc2nnn(C)c2c1 |r,wU:6.5,wD:9.11,6.6,(8.91,-2.04,;7.57,-2.81,;6.24,-2.04,;4.91,-2.81,;4.91,-4.35,;3.57,-2.04,;2.24,-2.81,;2.24,-1.27,;1.84,-4.3,;.35,-3.9,;.75,-2.41,;-.98,-4.67,;-2.32,-3.9,;-2.32,-2.36,;-3.65,-1.59,;-3.65,-.05,;-4.98,.72,;-4.98,-2.36,;-6.45,-1.88,;-7.35,-3.13,;-6.45,-4.37,;-4.98,-3.9,;-3.65,-4.67,;-6.92,-.42,;-8.43,-.1,;-8.91,1.37,;-7.88,2.51,;-8.04,4.04,;-6.63,4.67,;-5.6,3.52,;-4.07,3.69,;-6.37,2.19,;-5.89,.73,)|
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PC cid
PC sid
UniChem
n/an/an/an/a 0.5n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair