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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)
PDB

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


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

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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


Citation and Details
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

KEGG

UniProtKB/SwissProt

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antibodypedia
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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


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

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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


Citation and Details
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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
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PC cid
PC sid
PDB
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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


Citation and Details
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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
MMDB
PC cid
PC sid
PDB
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PubMed
n/an/a 80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Casein kinase 1 epsilon


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
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CHEMBL
MMDB
PC cid
PC sid
PDB
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Article
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
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CHEMBL
MMDB
PC cid
PC sid
PDB
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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


Citation and Details
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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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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