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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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Ki
IC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 251.3
BDBM50565177
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
14
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 tyrosine-phosphorylation-regulated kinase 1A
(RAT)
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.21E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate by ...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.89E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human RIPK1 kinase domain (8 to 322 residues) using myelin basic protein as substrate measured after 120 mins by [gamma-32P...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
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 using histone H1 as substrate by ADP-glo assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
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/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate by ADP-...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1
(Mus musculus)
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
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 mouse recombinant CLK1 expressed in bacterial expression system using GRSRSRSRSRSR as substrate by ADP-glo assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Aurora kinase B
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 recombinant human AURKB expressed in baculovirus infected Sf9 insect cells using myelin basic protein as substrate by ADP-Glo assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
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/cyclin A using histone H1 as substrate by ADP-glo assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 recombinant human HASPIN kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3(1-21) peptide as...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 recombinant human PIM1 expressed in bacterial expression system using histone H1 as substrate by ADP-glo assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 recombinant human CK1epsilon expressed in baculovirus infected Sf9 insect cells using RRKHAAIGSpAYSITA as substrate by ADP-glo assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 recombinant human JAK3 C-terminal domain (781 to 1124 residues) expressed in baculovirus infected Sf9 insect cells using GGEEEEYFELVKKK...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 recombinant human ABL1 (118 to 535 residues) expressed in baculovirus infected Sf9 insect cells using EAIYAAPFAKKK as substrate by ADP-...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 3
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 recombinant human RIPK3 expressed in baculovirus infected Sf9 insect cells using myelin basic protein as substrate by ADP-Glo assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human))
BDBM50565177
(CHEMBL4796622)
Show SMILES
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
4.70E+3
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RIPK1 in human FADD-deficient Jurkat I 2.1 cells assessed as protection against TNFalpha-induced necroptosis measured after 24 hrs by M...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112337
BindingDB Entry DOI:
10.7270/Q2X92G13
More data for this
Ligand-Target Pair