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PubMed code 23106386

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50364141
PNG
(CHEMBL1951415)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
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n/an/a 13n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Casein kinase 1 delta


J Med Chem 55: 10307-11 (2012)


Article DOI: 10.1021/jm301336n
BindingDB Entry DOI: 10.7270/Q2FF3TGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50399656
PNG
(CHEMBL2069623 | US11633415, Compound PF4800567)
Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1
Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
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KEGG

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n/an/a 32n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Casein kinase 1 epsilon


J Med Chem 55: 10307-11 (2012)


Article DOI: 10.1021/jm301336n
BindingDB Entry DOI: 10.7270/Q2FF3TGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50364141
PNG
(CHEMBL1951415)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Casein kinase 1 epsilon


J Med Chem 55: 10307-11 (2012)


Article DOI: 10.1021/jm301336n
BindingDB Entry DOI: 10.7270/Q2FF3TGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50399656
PNG
(CHEMBL2069623 | US11633415, Compound PF4800567)
Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1
Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
PDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 711n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Casein kinase 1 delta


J Med Chem 55: 10307-11 (2012)


Article DOI: 10.1021/jm301336n
BindingDB Entry DOI: 10.7270/Q2FF3TGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%