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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase CLK1' and Ligand = 'BDBM50259415'   
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


(Homo sapiens (Human))
BDBM50259415
PNG
(CHEMBL4061526)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 28n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50259415
PNG
(CHEMBL4061526)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...


Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair