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SMILES: CO[C@@H]1CC[C@@H](CC1)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 = 643419   
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))		BDBM643419
PNG
(US20240002391, Compound 245)
Show SMILES CO[C@@H]1CC[C@@H](CC1)Nc1nc(OC)c2c(ccn2n1)-c1cnc2nccn2c1 |r,wD:5.8,2.1,(5.96,-.05,;5.96,-1.59,;4.63,-2.36,;4.63,-3.9,;3.3,-4.67,;1.96,-3.9,;1.96,-2.36,;3.3,-1.59,;.63,-4.67,;-.71,-3.9,;-.71,-2.36,;-2.04,-1.59,;-2.04,-.05,;-3.37,.72,;-3.37,-2.36,;-4.84,-1.88,;-5.74,-3.13,;-4.84,-4.37,;-3.37,-3.9,;-2.04,-4.67,;-5.31,-.42,;-6.82,-.1,;-7.3,1.37,;-6.27,2.51,;-6.43,4.04,;-5.02,4.67,;-3.99,3.52,;-4.76,2.19,;-4.28,.73,)|
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PC cid
PC sid
UniChem
n/an/an/an/a 0.700n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair