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BDBM50208710 CHEMBL3884627

SMILES: COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O

InChI Key: InChIKey=GQBQUBULFDQKBM-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50208710   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50208710
PNG
(CHEMBL3884627)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O
Show InChI InChI=1S/C17H13N3O2/c1-22-13-4-2-3-11-14-12(17(18)21)7-9-8-19-6-5-10(9)16(14)20-15(11)13/h2-8,20H,1H3,(H2,18,21)
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PC sid
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK2 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))
BDBM50208710
PNG
(CHEMBL3884627)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O
Show InChI InChI=1S/C17H13N3O2/c1-22-13-4-2-3-11-14-12(17(18)21)7-9-8-19-6-5-10(9)16(14)20-15(11)13/h2-8,20H,1H3,(H2,18,21)
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n/an/a 600n/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
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50208710
PNG
(CHEMBL3884627)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O
Show InChI InChI=1S/C17H13N3O2/c1-22-13-4-2-3-11-14-12(17(18)21)7-9-8-19-6-5-10(9)16(14)20-15(11)13/h2-8,20H,1H3,(H2,18,21)
PDB
MMDB

KEGG

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B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 570n/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 protein kinase CLK4


(Homo sapiens (Human))
BDBM50208710
PNG
(CHEMBL3884627)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O
Show InChI InChI=1S/C17H13N3O2/c1-22-13-4-2-3-11-14-12(17(18)21)7-9-8-19-6-5-10(9)16(14)20-15(11)13/h2-8,20H,1H3,(H2,18,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 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 1B


(Homo sapiens (Human))
BDBM50208710
PNG
(CHEMBL3884627)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O
Show InChI InChI=1S/C17H13N3O2/c1-22-13-4-2-3-11-14-12(17(18)21)7-9-8-19-6-5-10(9)16(14)20-15(11)13/h2-8,20H,1H3,(H2,18,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1B 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
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM50208710
PNG
(CHEMBL3884627)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O
Show InChI InChI=1S/C17H13N3O2/c1-22-13-4-2-3-11-14-12(17(18)21)7-9-8-19-6-5-10(9)16(14)20-15(11)13/h2-8,20H,1H3,(H2,18,21)
PDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK3 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
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50208710
PNG
(CHEMBL3884627)
Show SMILES COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O
Show InChI InChI=1S/C17H13N3O2/c1-22-13-4-2-3-11-14-12(17(18)21)7-9-8-19-6-5-10(9)16(14)20-15(11)13/h2-8,20H,1H3,(H2,18,21)
PDB
MMDB

NCI pathway
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 9.00E+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