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PubMed code 23920481

Compile data set for download or QSAR
Found 25 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
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 700n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MSK1 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D2


(Homo sapiens (Human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 1.80E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin) by Z'-Lyte assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (human))
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 5.30E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MSK1 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50439465
PNG
(CHEMBL2420904)
Show SMILES OC(=O)C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C15H20N6O2/c22-14(23)10-1-2-15(20-7-10)3-5-21(6-4-15)13-11-12(17-8-16-11)18-9-19-13/h8-10,20H,1-7H2,(H,22,23)(H,16,17,18,19)
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n/an/a 6.10E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of AURA (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 7.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ABL (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 7.80E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of AURA (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 9.80E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of AURA (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50439466
PNG
(CHEMBL2420922)
Show SMILES O=S(=O)(N1CCCC2(CCCNC2)C1)c1cccc2cnccc12
Show InChI InChI=1S/C18H23N3O2S/c22-24(23,17-5-1-4-15-12-19-10-6-16(15)17)21-11-3-8-18(14-21)7-2-9-20-13-18/h1,4-6,10,12,20H,2-3,7-9,11,13-14H2
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n/an/a 1.28E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin) by Z'-Lyte assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (human))
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 1.40E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 1.80E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin) by Z'-Lyte assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 3.80E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 4.10E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PRAK (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 4.10E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D2


(Homo sapiens (Human))
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 4.60E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 4.70E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (human))
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 6.30E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 9.70E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CK1delta (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 1.26E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ABL (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50439463
PNG
(CHEMBL2420911)
Show SMILES C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H20N6/c1-2-14(8-15-5-1)3-6-20(7-4-14)13-11-12(17-9-16-11)18-10-19-13/h9-10,15H,1-8H2,(H,16,17,18,19)
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n/an/a 1.83E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (human))
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 2.26E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PRAK (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 2.38E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CK1delta (unknown origin) by microfluidic mobility shift assay


Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%