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Target
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 335.3
BDBM50589476
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
5
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Dual specificity protein kinase CLK4
(Homo sapiens (Human))
BDBM50589476
(CHEMBL5185809)
Show SMILES
O=C(Nc1ccc2[nH]cnc2c1)c1csc(Nc2ccccc2)n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
14
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116914
BindingDB Entry DOI:
10.7270/Q2HH6Q1V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4
(Homo sapiens (Human))
BDBM50589476
(CHEMBL5185809)
Show SMILES
O=C(Nc1ccc2[nH]cnc2c1)c1csc(Nc2ccccc2)n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
24
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116914
BindingDB Entry DOI:
10.7270/Q2HH6Q1V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1
(Homo sapiens (Human))
BDBM50589476
(CHEMBL5185809)
Show SMILES
O=C(Nc1ccc2[nH]cnc2c1)c1csc(Nc2ccccc2)n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
44
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116914
BindingDB Entry DOI:
10.7270/Q2HH6Q1V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4
(Homo sapiens (Human))
BDBM50589476
(CHEMBL5185809)
Show SMILES
O=C(Nc1ccc2[nH]cnc2c1)c1csc(Nc2ccccc2)n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.40E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116914
BindingDB Entry DOI:
10.7270/Q2HH6Q1V
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1
(Homo sapiens (Human))
BDBM50589476
(CHEMBL5185809)
Show SMILES
O=C(Nc1ccc2[nH]cnc2c1)c1csc(Nc2ccccc2)n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.40E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116914
BindingDB Entry DOI:
10.7270/Q2HH6Q1V
More data for this
Ligand-Target Pair