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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: 375.8
BDBM50559440
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
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
Mitogen-activated protein kinase 10
(Homo sapiens (Human))
BDBM50559440
(CHEMBL4757583)
Show SMILES
CNC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
118
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00533
BindingDB Entry DOI:
10.7270/Q2KW5KRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14
(Homo sapiens (Human))
BDBM50559440
(CHEMBL4757583)
Show SMILES
CNC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>2.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of P38alpha (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00533
BindingDB Entry DOI:
10.7270/Q2KW5KRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8
(Homo sapiens (Human))
BDBM50559440
(CHEMBL4757583)
Show SMILES
CNC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>2.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of JNK1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00533
BindingDB Entry DOI:
10.7270/Q2KW5KRN
More data for this
Ligand-Target Pair