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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM50008516'   
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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008516
PNG
(IC261)
Show SMILES COc1cc(OC)c(C=C2C(O)=Nc3ccccc23)c(OC)c1 |c:11|
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008516
PNG
(IC261)
Show SMILES COc1cc(OC)c(C=C2C(O)=Nc3ccccc23)c(OC)c1 |c:11|
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.57E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


Bioorg Med Chem Lett 18: 5672-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.072
BindingDB Entry DOI: 10.7270/Q2HD7VGP
More data for this
Ligand-Target Pair