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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 337.3
BDBM50581233
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
7
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 1B
(Homo sapiens (Human))
BDBM50581233
(CHEMBL5091510)
Show SMILES
Cc1nc(OCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
1
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1B (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50581233
(CHEMBL5091510)
Show SMILES
Cc1nc(OCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
6
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1A (unknown origin) assessed as accumulation of ADP by ADP hunter plus assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 2
(Homo sapiens (Human))
BDBM50581233
(CHEMBL5091510)
Show SMILES
Cc1nc(OCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
8
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK2 (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50581233
(CHEMBL5091510)
Show SMILES
Cc1nc(OCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
9
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1A (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D Structure (crystal)
Dual specificity protein kinase CLK1
(Homo sapiens (Human))
BDBM50581233
(CHEMBL5091510)
Show SMILES
Cc1nc(OCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
17
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CLK (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human))
BDBM50581233
(CHEMBL5091510)
Show SMILES
Cc1nc(OCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
79
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of PIM1 (unknown origin) by ADP hunter plus assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50581233
(CHEMBL5091510)
Show SMILES
Cc1nc(OCc2ccsc2)c2c(c[nH]c2n1)-c1ccnc(N)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
1.90E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK9 (unknown origin) by TR FRET assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI:
10.7270/Q28W3J52
More data for this
Ligand-Target Pair