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Target
Sequence
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Ki
IC50
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EC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 353.8
BDBM50568539
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
6
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
Casein kinase I isoform epsilon
(Homo sapiens (Human))
BDBM50568539
(CHEMBL4875029)
Show SMILES
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccccc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.90E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human CK1 epsilon expressed in baculovirus infected Sf9 cells using RRKHAAIGSpAYSITA as substrate
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112956
BindingDB Entry DOI:
10.7270/Q2125XD2
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1
(Mus musculus)
BDBM50568539
(CHEMBL4875029)
Show SMILES
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccccc1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as substrate in presence of [gamma-33P]ATP by radiometric assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112956
BindingDB Entry DOI:
10.7270/Q2125XD2
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50568539
(CHEMBL4875029)
Show SMILES
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human recombinant CDK9/CyclinT expressed in baculovirus infected Sf9 cells using YSPTSPSYSPTSPSYSPTSPSKKK as substrate in presence of [...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112956
BindingDB Entry DOI:
10.7270/Q2125XD2
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa)
BDBM50568539
(CHEMBL4875029)
Show SMILES
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccccc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of pig brain GSK alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate in presence of [gamma-33P]ATP by radiometric assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112956
BindingDB Entry DOI:
10.7270/Q2125XD2
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50568539
(CHEMBL4875029)
Show SMILES
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CDK2/ cyclinA using histone H1 as substrate in presence of [gamma-33P]ATP by radiometric assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112956
BindingDB Entry DOI:
10.7270/Q2125XD2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human))
BDBM50568539
(CHEMBL4875029)
Show SMILES
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human recombinant CDK5/ p25 expressed in bacterial expression system using histone H1 as substrate in presence of [gamma-33P]ATP by rad...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112956
BindingDB Entry DOI:
10.7270/Q2125XD2
More data for this
Ligand-Target Pair