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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dual specificty protein kinase CLK1' and Ligand = 'BDBM100152'   
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 specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Universit£ de Rouen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Eur J Med Chem 59: 283-95 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.030
BindingDB Entry DOI: 10.7270/Q2K075K7
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 26n/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 specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Universit£ Paris-Saclay

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Eur J Med Chem 123: 105-114 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.040
BindingDB Entry DOI: 10.7270/Q2GT5Q4M
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 220n/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)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair