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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 298.3
BDBM50509920

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

Found 1 hit 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 protein kinase CLK1


(Mus musculus)
BDBM50509920
PNG
(CHEMBL4558273)
Show SMILES CN(C)CNc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
Show InChI InChI=1S/C14H14N6O2/c1-19(2)8-17-14-16-7-10-5-9-6-15-4-3-11(9)13(20(21)22)12(10)18-14/h3-7H,8H2,1-2H3,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as substrate in presence of [gamma33P]ATP


Bioorg Med Chem 27: 2083-2089 (2019)


Article DOI: 10.1016/j.bmc.2019.04.005
BindingDB Entry DOI: 10.7270/Q25H7KKN
More data for this
Ligand-Target Pair