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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 496.5
BDBM50454207

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))
BDBM50454207
PNG
(CHEMBL4203904)
Show SMILES Fc1cccc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCSCC1
Show InChI InChI=1S/C23H19F3N8S/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 185n/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))
BDBM50454207
PNG
(CHEMBL4203904)
Show SMILES Fc1cccc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCSCC1
Show InChI InChI=1S/C23H19F3N8S/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/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