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PubMed code 23919824

Compile data set for download or QSAR
Found 18 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))
BDBM50439432
PNG
(CHEMBL2420703)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc2CNCCOc12
Show InChI InChI=1S/C18H17FN4O/c1-23-11-15(17(22-23)12-2-4-13(19)5-3-12)14-6-7-21-16-10-20-8-9-24-18(14)16/h2-7,11,20H,8-10H2,1H3
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n/an/a 6n/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 delta


(Homo sapiens (Human))
BDBM50439431
PNG
(CHEMBL2420704)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc(c1)C1COCCN1
Show InChI InChI=1S/C19H19FN4O/c1-24-11-16(19(23-24)13-2-4-15(20)5-3-13)14-6-7-21-17(10-14)18-12-25-9-8-22-18/h2-7,10-11,18,22H,8-9,12H2,1H3
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n/an/a 6.60n/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 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 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 delta


(Homo sapiens (Human))
BDBM50439433
PNG
(CHEMBL2420702)
Show SMILES CNCc1cc(ccn1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3
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n/an/a 13n/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 delta


(Homo sapiens (Human))
BDBM50439434
PNG
(CHEMBL2420701)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc(CO)c1
Show InChI InChI=1S/C16H14FN3O/c1-20-9-15(12-6-7-18-14(8-12)10-21)16(19-20)11-2-4-13(17)5-3-11/h2-9,21H,10H2,1H3
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n/an/a 14n/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
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50439432
PNG
(CHEMBL2420703)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc2CNCCOc12
Show InChI InChI=1S/C18H17FN4O/c1-23-11-15(17(22-23)12-2-4-13(19)5-3-12)14-6-7-21-16-10-20-8-9-24-18(14)16/h2-7,11,20H,8-10H2,1H3
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n/an/a 27n/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


(Homo sapiens (Human))
BDBM50439431
PNG
(CHEMBL2420704)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc(c1)C1COCCN1
Show InChI InChI=1S/C19H19FN4O/c1-24-11-16(19(23-24)13-2-4-15(20)5-3-13)14-6-7-21-17(10-14)18-12-25-9-8-22-18/h2-7,10-11,18,22H,8-9,12H2,1H3
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n/an/a 28n/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


(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 delta


(Homo sapiens (Human))
BDBM50439432
PNG
(CHEMBL2420703)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc2CNCCOc12
Show InChI InChI=1S/C18H17FN4O/c1-23-11-15(17(22-23)12-2-4-13(19)5-3-12)14-6-7-21-16-10-20-8-9-24-18(14)16/h2-7,11,20H,8-10H2,1H3
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n/an/a 42n/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 delta


(Homo sapiens (Human))
BDBM50439435
PNG
(CHEMBL2420700)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C15H12FN3/c1-19-10-14(11-6-8-17-9-7-11)15(18-19)12-2-4-13(16)5-3-12/h2-10H,1H3
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n/an/a 48n/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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50439433
PNG
(CHEMBL2420702)
Show SMILES CNCc1cc(ccn1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3
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n/an/a 64n/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


(Homo sapiens (Human))
BDBM50439433
PNG
(CHEMBL2420702)
Show SMILES CNCc1cc(ccn1)-c1cn(C)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3
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n/an/a 67n/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 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 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


(Homo sapiens (Human))
BDBM50439434
PNG
(CHEMBL2420701)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc(CO)c1
Show InChI InChI=1S/C16H14FN3O/c1-20-9-15(12-6-7-18-14(8-12)10-21)16(19-20)11-2-4-13(17)5-3-11/h2-9,21H,10H2,1H3
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n/an/a 82n/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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50439431
PNG
(CHEMBL2420704)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc(c1)C1COCCN1
Show InChI InChI=1S/C19H19FN4O/c1-24-11-16(19(23-24)13-2-4-15(20)5-3-13)14-6-7-21-17(10-14)18-12-25-9-8-22-18/h2-7,10-11,18,22H,8-9,12H2,1H3
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n/an/a 90n/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 delta


(Homo sapiens (Human))
BDBM50439434
PNG
(CHEMBL2420701)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc(CO)c1
Show InChI InChI=1S/C16H14FN3O/c1-20-9-15(12-6-7-18-14(8-12)10-21)16(19-20)11-2-4-13(17)5-3-11/h2-9,21H,10H2,1H3
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n/an/a 237n/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
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50439435
PNG
(CHEMBL2420700)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C15H12FN3/c1-19-10-14(11-6-8-17-9-7-11)15(18-19)12-2-4-13(16)5-3-12/h2-10H,1H3
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n/an/a 305n/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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50439435
PNG
(CHEMBL2420700)
Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C15H12FN3/c1-19-10-14(11-6-8-17-9-7-11)15(18-19)12-2-4-13(16)5-3-12/h2-10H,1H3
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n/an/a 545n/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
* indicates data uncertainty>20%