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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 216.2
BDBM50154350

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM50154350
PNG
(CHEMBL3775821)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCc2c1
Show InChI InChI=1S/C13H12O3/c14-13-11(4-6-16-13)8-9-1-2-12-10(7-9)3-5-15-12/h1-2,7-8H,3-6H2/b11-8+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50154350
PNG
(CHEMBL3775821)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCc2c1
Show InChI InChI=1S/C13H12O3/c14-13-11(4-6-16-13)8-9-1-2-12-10(7-9)3-5-15-12/h1-2,7-8H,3-6H2/b11-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 960n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50154350
PNG
(CHEMBL3775821)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCc2c1
Show InChI InChI=1S/C13H12O3/c14-13-11(4-6-16-13)8-9-1-2-12-10(7-9)3-5-15-12/h1-2,7-8H,3-6H2/b11-8+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.17E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154350
PNG
(CHEMBL3775821)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCc2c1
Show InChI InChI=1S/C13H12O3/c14-13-11(4-6-16-13)8-9-1-2-12-10(7-9)3-5-15-12/h1-2,7-8H,3-6H2/b11-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) incubated for 15 mins in presence of [gamma-32P]ATP


Eur J Med Chem 112: 209-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50154350
PNG
(CHEMBL3775821)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCc2c1
Show InChI InChI=1S/C13H12O3/c14-13-11(4-6-16-13)8-9-1-2-12-10(7-9)3-5-15-12/h1-2,7-8H,3-6H2/b11-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.017
BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair