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SMILES: Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 648262   
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
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM648262
PNG
(US11884671, Example 39)
Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM648262
PNG
(US11884671, Example 39)
Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
PDB
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n/an/a 3.98E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM648262
PNG
(US11884671, Example 39)
Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM648262
PNG
(US11884671, Example 39)
Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM648262
PNG
(US11884671, Example 39)
Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM648262
PNG
(US11884671, Example 39)
Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM648262
PNG
(US11884671, Example 39)
Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CC[C@@](C)(N)CC3)c2n1 |r,wU:24.27,wD:24.26,(,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-5.47,-2.79,;-5.94,-4.25,;-6.37,-1.54,;-7.91,-1.54,;-5.47,-.29,;-5.94,1.17,;-7.45,1.49,;-7.92,2.96,;-6.89,4.1,;-6.32,5.53,;-8.2,4.92,;-5.39,3.78,;-4.91,2.32,;-4,-.77,;-2.67,,)|
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TBA



Citation and Details
More data for this
Ligand-Target Pair