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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 321.3
BDBM50208720

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

Found 3 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
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50208720
PNG
(CHEMBL3884583)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C(N)=O
Show InChI InChI=1S/C18H15N3O3/c1-23-10-3-4-11-13(6-10)21-17-15-9(7-20-8-14(15)24-2)5-12(16(11)17)18(19)22/h3-8,21H,1-2H3,(H2,19,22)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate after 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208720
PNG
(CHEMBL3884583)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C(N)=O
Show InChI InChI=1S/C18H15N3O3/c1-23-10-3-4-11-13(6-10)21-17-15-9(7-20-8-14(15)24-2)5-12(16(11)17)18(19)22/h3-8,21H,1-2H3,(H2,19,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50208720
PNG
(CHEMBL3884583)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C(N)=O
Show InChI InChI=1S/C18H15N3O3/c1-23-10-3-4-11-13(6-10)21-17-15-9(7-20-8-14(15)24-2)5-12(16(11)17)18(19)22/h3-8,21H,1-2H3,(H2,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair