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PDB code 3UZP

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 11 hits 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

  (294/294 = 100%)
(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 7.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1 delta (unknown origin) using PLSRTLpSVASLPGL as substrate after 60 mins by microplate reader analysis


J Med Chem 56: 6819-28 (2013)


Article DOI: 10.1021/jm4006324
BindingDB Entry DOI: 10.7270/Q2125V36
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform epsilon

  (286/294 = 97%)
(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 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK1epsilon expressed in Escherichia coli BL21 using PLSRTLpSVASLPGL as substrate after 3 hrs by KinaseGlo assay


J Med Chem 55: 956-60 (2012)


Article DOI: 10.1021/jm201387s
BindingDB Entry DOI: 10.7270/Q2X63NFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta

  (294/294 = 100%)
(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 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK1delta expressed in Escherichia coli using PLSRTLpSVASLPGL as substrate after 2 hrs by KinaseGlo assay


J Med Chem 55: 956-60 (2012)


Article DOI: 10.1021/jm201387s
BindingDB Entry DOI: 10.7270/Q2X63NFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta

  (294/294 = 100%)
(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

  (286/294 = 97%)
(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 29n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1 epsilon (unknown origin) using PLSRTLpSVASLPGL as substrate after 85 mins by microplate reader analysis


J Med Chem 56: 6819-28 (2013)


Article DOI: 10.1021/jm4006324
BindingDB Entry DOI: 10.7270/Q2125V36
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform epsilon

  (286/294 = 97%)
(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 32n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human full length polyhistidine-tagged CK1epsilon expressed in Escherichia coli BL21-Codon-Plus (DE3)-RIL using PLSRTLpSVASLPGL as subs...


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta

  (294/294 = 100%)
(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 32n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human full length CK1delta1 (2 to 415 residues) using PLSRTLpSVASLPGL as substrate after 2 hrs by kinase-glo assay


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform delta

  (294/294 = 100%)
(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 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


Eur J Med Chem 56: 30-38 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.007
BindingDB Entry DOI: 10.7270/Q2FJ2J2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform epsilon

  (286/294 = 97%)
(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

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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

  (294/294 = 100%)
(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

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n/an/a 81n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK1 delta transfected in african green monkey cos7 cells after overnight incubation by whole cell assay


J Med Chem 56: 6819-28 (2013)


Article DOI: 10.1021/jm4006324
BindingDB Entry DOI: 10.7270/Q2125V36
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform epsilon

  (286/294 = 97%)
(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

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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1epsilon


Eur J Med Chem 56: 30-38 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.007
BindingDB Entry DOI: 10.7270/Q2FJ2J2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output