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SMILES: Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)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 = 648235   
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))
BDBM648235
PNG
(US11884671, Example 12)
Show SMILES Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.22,24.26,(3.34,-5.24,;3.34,-3.7,;4.68,-2.93,;4.68,-1.39,;6.01,-.62,;6.01,.92,;4.68,1.69,;3.34,.92,;3.34,-.62,;2.01,-1.39,;2.01,-2.93,;.68,-3.7,;-.66,-2.93,;-1.99,-3.7,;-3.33,-2.93,;-3.33,-1.39,;-4.47,-.36,;-6.01,-.36,;-3.84,1.05,;-4.61,2.38,;-2.31,.89,;-1.22,1.97,;.26,1.58,;1.35,2.66,;.95,4.15,;2.04,5.24,;-.53,4.55,;-1.62,3.46,;-1.99,-.62,;-.66,-1.39,)|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<0.100n/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))
BDBM648235
PNG
(US11884671, Example 12)
Show SMILES Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.22,24.26,(3.34,-5.24,;3.34,-3.7,;4.68,-2.93,;4.68,-1.39,;6.01,-.62,;6.01,.92,;4.68,1.69,;3.34,.92,;3.34,-.62,;2.01,-1.39,;2.01,-2.93,;.68,-3.7,;-.66,-2.93,;-1.99,-3.7,;-3.33,-2.93,;-3.33,-1.39,;-4.47,-.36,;-6.01,-.36,;-3.84,1.05,;-4.61,2.38,;-2.31,.89,;-1.22,1.97,;.26,1.58,;1.35,2.66,;.95,4.15,;2.04,5.24,;-.53,4.55,;-1.62,3.46,;-1.99,-.62,;-.66,-1.39,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 501n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM648235
PNG
(US11884671, Example 12)
Show SMILES Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.22,24.26,(3.34,-5.24,;3.34,-3.7,;4.68,-2.93,;4.68,-1.39,;6.01,-.62,;6.01,.92,;4.68,1.69,;3.34,.92,;3.34,-.62,;2.01,-1.39,;2.01,-2.93,;.68,-3.7,;-.66,-2.93,;-1.99,-3.7,;-3.33,-2.93,;-3.33,-1.39,;-4.47,-.36,;-6.01,-.36,;-3.84,1.05,;-4.61,2.38,;-2.31,.89,;-1.22,1.97,;.26,1.58,;1.35,2.66,;.95,4.15,;2.04,5.24,;-.53,4.55,;-1.62,3.46,;-1.99,-.62,;-.66,-1.39,)|
PDB

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PC sid
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM648235
PNG
(US11884671, Example 12)
Show SMILES Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.22,24.26,(3.34,-5.24,;3.34,-3.7,;4.68,-2.93,;4.68,-1.39,;6.01,-.62,;6.01,.92,;4.68,1.69,;3.34,.92,;3.34,-.62,;2.01,-1.39,;2.01,-2.93,;.68,-3.7,;-.66,-2.93,;-1.99,-3.7,;-3.33,-2.93,;-3.33,-1.39,;-4.47,-.36,;-6.01,-.36,;-3.84,1.05,;-4.61,2.38,;-2.31,.89,;-1.22,1.97,;.26,1.58,;1.35,2.66,;.95,4.15,;2.04,5.24,;-.53,4.55,;-1.62,3.46,;-1.99,-.62,;-.66,-1.39,)|
PDB

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PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM648235
PNG
(US11884671, Example 12)
Show SMILES Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.22,24.26,(3.34,-5.24,;3.34,-3.7,;4.68,-2.93,;4.68,-1.39,;6.01,-.62,;6.01,.92,;4.68,1.69,;3.34,.92,;3.34,-.62,;2.01,-1.39,;2.01,-2.93,;.68,-3.7,;-.66,-2.93,;-1.99,-3.7,;-3.33,-2.93,;-3.33,-1.39,;-4.47,-.36,;-6.01,-.36,;-3.84,1.05,;-4.61,2.38,;-2.31,.89,;-1.22,1.97,;.26,1.58,;1.35,2.66,;.95,4.15,;2.04,5.24,;-.53,4.55,;-1.62,3.46,;-1.99,-.62,;-.66,-1.39,)|
PDB

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PC cid
PC sid
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM648235
PNG
(US11884671, Example 12)
Show SMILES Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.22,24.26,(3.34,-5.24,;3.34,-3.7,;4.68,-2.93,;4.68,-1.39,;6.01,-.62,;6.01,.92,;4.68,1.69,;3.34,.92,;3.34,-.62,;2.01,-1.39,;2.01,-2.93,;.68,-3.7,;-.66,-2.93,;-1.99,-3.7,;-3.33,-2.93,;-3.33,-1.39,;-4.47,-.36,;-6.01,-.36,;-3.84,1.05,;-4.61,2.38,;-2.31,.89,;-1.22,1.97,;.26,1.58,;1.35,2.66,;.95,4.15,;2.04,5.24,;-.53,4.55,;-1.62,3.46,;-1.99,-.62,;-.66,-1.39,)|
PDB
MMDB

NCI pathway
Reactome pathway
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antibodypedia
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PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM648235
PNG
(US11884671, Example 12)
Show SMILES Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.22,24.26,(3.34,-5.24,;3.34,-3.7,;4.68,-2.93,;4.68,-1.39,;6.01,-.62,;6.01,.92,;4.68,1.69,;3.34,.92,;3.34,-.62,;2.01,-1.39,;2.01,-2.93,;.68,-3.7,;-.66,-2.93,;-1.99,-3.7,;-3.33,-2.93,;-3.33,-1.39,;-4.47,-.36,;-6.01,-.36,;-3.84,1.05,;-4.61,2.38,;-2.31,.89,;-1.22,1.97,;.26,1.58,;1.35,2.66,;.95,4.15,;2.04,5.24,;-.53,4.55,;-1.62,3.46,;-1.99,-.62,;-.66,-1.39,)|
PDB

Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair