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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 474.9
BDBM50454259

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

Found 2 hits 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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50454259
PNG
(CHEMBL4203354)
Show SMILES CN1CCN(CC1)c1nc(NCc2nc3cc(Cl)ccc3[nH]2)c2ncn(-c3cccnc3)c2n1
Show InChI InChI=1S/C23H23ClN10/c1-32-7-9-33(10-8-32)23-30-21(26-13-19-28-17-5-4-15(24)11-18(17)29-19)20-22(31-23)34(14-27-20)16-3-2-6-25-12-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,28,29)(H,26,30,31)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 335n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50454259
PNG
(CHEMBL4203354)
Show SMILES CN1CCN(CC1)c1nc(NCc2nc3cc(Cl)ccc3[nH]2)c2ncn(-c3cccnc3)c2n1
Show InChI InChI=1S/C23H23ClN10/c1-32-7-9-33(10-8-32)23-30-21(26-13-19-28-17-5-4-15(24)11-18(17)29-19)20-22(31-23)34(14-27-20)16-3-2-6-25-12-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,28,29)(H,26,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CK1epsilon expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr13...


Bioorg Med Chem 26: 590-602 (2018)


Article DOI: 10.1016/j.bmc.2017.12.020
BindingDB Entry DOI: 10.7270/Q2RR21TZ
More data for this
Ligand-Target Pair