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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
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Deposition
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null
SMILES:
C[C@H](Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(c1)C#N
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 = 50603025
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
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50603025
(CHEMBL5207003)
Show SMILES
C[C@H](Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(c1)C#N |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
67
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114080
BindingDB Entry DOI:
10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50603025
(CHEMBL5207003)
Show SMILES
C[C@H](Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(c1)C#N |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
4.00E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114080
BindingDB Entry DOI:
10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50603025
(CHEMBL5207003)
Show SMILES
C[C@H](Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(c1)C#N |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
5.00E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114080
BindingDB Entry DOI:
10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50603025
(CHEMBL5207003)
Show SMILES
C[C@H](Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(c1)C#N |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
23
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114080
BindingDB Entry DOI:
10.7270/Q2BR8X7N
More data for this
Ligand-Target Pair
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