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SMILES: CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ncc(C)nc4cc3C)ncc2n(C)c1=O

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 = 648227   
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))
BDBM648227
PNG
(US11884671, Example 4)
Show SMILES CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ncc(C)nc4cc3C)ncc2n(C)c1=O
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM648227
PNG
(US11884671, Example 4)
Show SMILES CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ncc(C)nc4cc3C)ncc2n(C)c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.00E+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))
BDBM648227
PNG
(US11884671, Example 4)
Show SMILES CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ncc(C)nc4cc3C)ncc2n(C)c1=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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
Aurora kinase B


(Homo sapiens (Human))
BDBM648227
PNG
(US11884671, Example 4)
Show SMILES CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ncc(C)nc4cc3C)ncc2n(C)c1=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM648227
PNG
(US11884671, Example 4)
Show SMILES CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ncc(C)nc4cc3C)ncc2n(C)c1=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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
Aurora kinase A


(Homo sapiens (Human))
BDBM648227
PNG
(US11884671, Example 4)
Show SMILES CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ncc(C)nc4cc3C)ncc2n(C)c1=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM648227
PNG
(US11884671, Example 4)
Show SMILES CC(=O)N1CCC(CC1)n1c2nc(Nc3cc4ncc(C)nc4cc3C)ncc2n(C)c1=O
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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