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Target
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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: 395.8
BDBM50583763
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
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
(Homo sapiens (Human))
BDBM50583763
(CHEMBL5093661)
Show SMILES
Cc1nc2ccc(nc2n1CCOc1cccc(Cl)n1)-c1cc(N)nc(N)c1
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
3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1A (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET ...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI:
10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50583763
(CHEMBL5093661)
Show SMILES
Cc1nc2ccc(nc2n1CCOc1cccc(Cl)n1)-c1cc(N)nc(N)c1
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
26
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of wild type full length DYRK1A (unknown origin) in human U2OS cells assessed as reduction in pSER520 autophosphorylation incubated for 5 ...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI:
10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2
(Homo sapiens (Human))
BDBM50583763
(CHEMBL5093661)
Show SMILES
Cc1nc2ccc(nc2n1CCOc1cccc(Cl)n1)-c1cc(N)nc(N)c1
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
33
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK2 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET a...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI:
10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50583763
(CHEMBL5093661)
Show SMILES
Cc1nc2ccc(nc2n1CCOc1cccc(Cl)n1)-c1cc(N)nc(N)c1
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
222
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI:
10.7270/Q20K2DF1
More data for this
Ligand-Target Pair