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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 465.4
BDBM50574282
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
10
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
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human))
BDBM50574282
(CHEMBL4868568)
Show SMILES
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
30
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of PIM1 (unknown origin) in presence of 1 mM ATP without preincubation
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI:
10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human))
BDBM50574282
(CHEMBL4868568)
Show SMILES
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
34
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of PIM1 (unknown origin) in presence of 1 mM ATP with preincubation
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI:
10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase
(Homo sapiens (Human))
BDBM50574282
(CHEMBL4868568)
Show SMILES
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
36
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDC7 in human SW-620 cells assessed as reduction in phosphorylation of MCM2 at Ser40 residue incubated for 48 hrs by Western blot analy...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI:
10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase
(Homo sapiens (Human))
BDBM50574282
(CHEMBL4868568)
Show SMILES
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
53
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDC7 in human SW-620 cells assessed as reduction in phosphorylation of MCM2 at Ser53 residue incubated for 48 hrs by Western blot analy...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI:
10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human))
BDBM50574282
(CHEMBL4868568)
Show SMILES
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
189
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of GSK3alpha (unknown origin) in presence of 1 mM ATP without preincubation
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI:
10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1
(Homo sapiens (Human))
BDBM50574282
(CHEMBL4868568)
Show SMILES
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
206
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CLK1 (unknown origin) in presence of 1 mM ATP with preincubation
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI:
10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1
(Homo sapiens (Human))
BDBM50574282
(CHEMBL4868568)
Show SMILES
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
212
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CLK1 (unknown origin) in presence of 1 mM ATP without preincubation
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI:
10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2
(Homo sapiens (Human))
BDBM50574282
(CHEMBL4868568)
Show SMILES
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
227
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CLK2 (unknown origin) in presence of 1 mM ATP with preincubation
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI:
10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human))
BDBM50574282
(CHEMBL4868568)
Show SMILES
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
251
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of GSK3alpha (unknown origin) in presence of 1 mM ATP with preincubation
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI:
10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2
(Homo sapiens (Human))
BDBM50574282
(CHEMBL4868568)
Show SMILES
CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
270
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CLK2 (unknown origin) in presence of 1 mM ATP without preincubation
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01319
BindingDB Entry DOI:
10.7270/Q2CJ8J97
More data for this
Ligand-Target Pair