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Target
Sequence
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IC50
Kd
EC50
Rate constants
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ΔH°
-TΔS°
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null
SMILES:
O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1
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
4
hits for monomerid = 613886
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human))
BDBM613886
(US11739078, Compound A-62 | US11739078, Compound A...)
Show SMILES
O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
UniChem
US Patent
n/a
n/a
93
n/a
n/a
n/a
n/a
n/a
n/a
ASTRAZENECA AB
US Patent
US Patent
US11001589 (2021)
BindingDB Entry DOI:
10.7270/Q2N30228
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4
(Homo sapiens (Human))
BDBM613886
(US11739078, Compound A-62 | US11739078, Compound A...)
Show SMILES
O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
UniChem
US Patent
n/a
n/a
4.72
n/a
n/a
n/a
n/a
n/a
n/a
ASTRAZENECA AB
US Patent
US Patent
US11001589 (2021)
BindingDB Entry DOI:
10.7270/Q2N30228
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human))
BDBM613886
(US11739078, Compound A-62 | US11739078, Compound A...)
Show SMILES
O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
UniChem
US Patent
n/a
n/a
9.32
n/a
n/a
n/a
n/a
n/a
n/a
ASTRAZENECA AB
US Patent
US Patent
US11001589 (2021)
BindingDB Entry DOI:
10.7270/Q2N30228
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4
(Homo sapiens (Human))
BDBM613886
(US11739078, Compound A-62 | US11739078, Compound A...)
Show SMILES
O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
UniChem
US Patent
n/a
n/a
64
n/a
n/a
n/a
n/a
n/a
n/a
ASTRAZENECA AB
US Patent
US Patent
US11001589 (2021)
BindingDB Entry DOI:
10.7270/Q2N30228
More data for this
Ligand-Target Pair
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