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PDB code 3UZP

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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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UniProtKB/SwissProt

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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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I delta/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

KEGG

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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)

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 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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I delta/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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
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PC sid
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PubMed
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I delta/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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
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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)

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

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CK1delta


Citation and Details
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

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I delta/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

KEGG

UniProtKB/SwissProt

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

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PDB
Article
n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CK1epsilon


Citation and Details
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