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SMILES: CO[C@@H]1C[C@@H](C1)Nc1nc(OC)c2c(ccn2n1)-c1cnc2nccn2c1

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 = 643415   
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))		BDBM643415
PNG
(US20240002391, Compound 236)
Show SMILES CO[C@@H]1C[C@@H](C1)Nc1nc(OC)c2c(ccn2n1)-c1cnc2nccn2c1 |r,wD:4.6,2.1,(6.31,-.46,;6.31,-2,;4.98,-2.77,;4.51,-4.3,;3.02,-3.9,;3.42,-2.41,;1.69,-4.67,;.35,-3.9,;.35,-2.36,;-.98,-1.59,;-.98,-.05,;-2.32,.72,;-2.32,-2.36,;-3.78,-1.88,;-4.69,-3.13,;-3.78,-4.37,;-2.32,-3.9,;-.98,-4.67,;-4.26,-.42,;-5.76,-.1,;-6.24,1.37,;-5.21,2.51,;-5.37,4.04,;-3.96,4.67,;-2.93,3.52,;-3.7,2.19,;-3.23,.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