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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'redondo' and Initial = 'm'   
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
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50385902
PNG
(CHEMBL2041596)
Show SMILES COc1cc(COC(=O)c2ccc(o2)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C21H20O6/c1-23-18-11-14(12-19(24-2)20(18)25-3)13-26-21(22)17-10-9-16(27-17)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
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5.91E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PDE7A1 using 5 nM to 2 uM cAMP as substrate by Lineweaver-Burk plot analysis


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50385903
PNG
(CHEMBL2041614)
Show SMILES COc1cc(CNC(=O)c2ccc(o2)-c2ccc(C)cc2[N+]([O-])=O)cc(OC)c1OC
Show InChI InChI=1S/C22H22N2O7/c1-13-5-6-15(16(9-13)24(26)27)17-7-8-18(31-17)22(25)23-12-14-10-19(28-2)21(30-4)20(11-14)29-3/h5-11H,12H2,1-4H3,(H,23,25)
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7.22E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PDE7A1 using 5 nM to 2 uM cAMP as substrate by Lineweaver-Burk plot analysis


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008422
PNG
(CHEMBL3235552)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(cc2s1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O2S/c1-24-13-5-3-2-4-10(13)8-15(23)22-16-21-12-7-6-11(17(18,19)20)9-14(12)25-16/h2-7,9H,8H2,1H3,(H,21,22,23)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008512
PNG
(CHEMBL3235572)
Show SMILES COc1cc(CC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O4S/c1-26-13-6-10(7-14(27-2)17(13)28-3)8-16(25)24-18-23-12-5-4-11(19(20,21)22)9-15(12)29-18/h4-7,9H,8H2,1-3H3,(H,23,24,25)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008401
PNG
(CHEMBL3235538)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
Show InChI InChI=1S/C16H10ClF3N2OS/c17-11-3-1-2-9(6-11)7-14(23)22-15-21-12-5-4-10(16(18,19)20)8-13(12)24-15/h1-6,8H,7H2,(H,21,22,23)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008500
PNG
(CHEMBL3235560)
Show SMILES COc1ccc(CC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H13F3N2O2S/c1-24-12-5-2-10(3-6-12)8-15(23)22-16-21-13-7-4-11(17(18,19)20)9-14(13)25-16/h2-7,9H,8H2,1H3,(H,21,22,23)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008496
PNG
(CHEMBL3235556)
Show SMILES COc1cccc(CC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)c1
Show InChI InChI=1S/C17H13F3N2O2S/c1-24-12-4-2-3-10(7-12)8-15(23)22-16-21-13-6-5-11(17(18,19)20)9-14(13)25-16/h2-7,9H,8H2,1H3,(H,21,22,23)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008503
PNG
(CHEMBL3235563)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1
Show InChI InChI=1S/C16H11F3N2OS/c17-16(18,19)11-6-7-12-13(9-11)23-15(20-12)21-14(22)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,21,22)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008504
PNG
(CHEMBL3235564)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1
Show InChI InChI=1S/C16H9Cl2F3N2OS/c17-10-3-1-8(5-11(10)18)6-14(24)23-15-22-12-4-2-9(16(19,20)21)7-13(12)25-15/h1-5,7H,6H2,(H,22,23,24)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008411
PNG
(CHEMBL3235545)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1
Show InChI InChI=1S/C16H10ClF3N2OS/c17-11-4-1-9(2-5-11)7-14(23)22-15-21-12-6-3-10(16(18,19)20)8-13(12)24-15/h1-6,8H,7H2,(H,21,22,23)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008406
PNG
(CHEMBL3235542)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)Cc3ccccc3Cl)sc2c1
Show InChI InChI=1S/C16H10ClF3N2OS/c17-11-4-2-1-3-9(11)7-14(23)22-15-21-12-6-5-10(16(18,19)20)8-13(12)24-15/h1-6,8H,7H2,(H,21,22,23)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008509
PNG
(CHEMBL3235569)
Show SMILES COc1cc(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O5S/c1-26-13-6-10(7-14(27-2)17(13)28-3)8-16(25)24-18-23-12-5-4-11(9-15(12)30-18)29-19(20,21)22/h4-7,9H,8H2,1-3H3,(H,23,24,25)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008399
PNG
(CHEMBL3235535)
Show SMILES Cc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
Show InChI InChI=1S/C16H13ClN2OS/c1-10-5-6-13-14(7-10)21-16(18-13)19-15(20)9-11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,18,19,20)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008499
PNG
(CHEMBL3235559)
Show SMILES FC(F)(F)c1cccc(CC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)c1
Show InChI InChI=1S/C17H10F6N2OS/c18-16(19,20)10-3-1-2-9(6-10)7-14(26)25-15-24-12-5-4-11(17(21,22)23)8-13(12)27-15/h1-6,8H,7H2,(H,24,25,26)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50277784
PNG
(CHEMBL484928 | N,N,2-trimethyl-5-nitrobenzenesulfo...)
Show SMILES CN(C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
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Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE7A1-mediated [3H]cAMP hydrolysis after 20 mins by scintillation proximity assay


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008508
PNG
(CHEMBL3235568)
Show SMILES COc1ccc(OC)c(CC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)c1
Show InChI InChI=1S/C18H15F3N2O3S/c1-25-12-4-6-14(26-2)10(7-12)8-16(24)23-17-22-13-5-3-11(18(19,20)21)9-15(13)27-17/h3-7,9H,8H2,1-2H3,(H,22,23,24)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008417
PNG
(CHEMBL3235548)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C16H13BrN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008420
PNG
(CHEMBL3235551)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(C)cc2s1
Show InChI InChI=1S/C17H16N2O2S/c1-11-7-8-13-15(9-11)22-17(18-13)19-16(20)10-12-5-3-4-6-14(12)21-2/h3-9H,10H2,1-2H3,(H,18,19,20)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008418
PNG
(CHEMBL3235549)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C16H13ClN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM49375
PNG
(MLS000527505 | N-(1,3-benzothiazol-2-yl)-2-phenyl-...)
Show SMILES O=C(Cc1ccccc1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS/c18-14(10-11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,17,18)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008497
PNG
(CHEMBL3235557)
Show SMILES COc1cccc(CC(=O)Nc2nc3ccc(OC)cc3s2)c1
Show InChI InChI=1S/C17H16N2O3S/c1-21-12-5-3-4-11(8-12)9-16(20)19-17-18-14-7-6-13(22-2)10-15(14)23-17/h3-8,10H,9H2,1-2H3,(H,18,19,20)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008514
PNG
(CHEMBL3235573)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)CC3CCCCC3)sc2c1
Show InChI InChI=1S/C16H17F3N2OS/c17-16(18,19)11-6-7-12-13(9-11)23-15(20-12)21-14(22)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,20,21,22)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008515
PNG
(CHEMBL3235574)
Show SMILES CC(C)(C)CC(=O)Nc1nc2ccc(cc2s1)C(F)(F)F
Show InChI InChI=1S/C14H15F3N2OS/c1-13(2,3)7-11(20)19-12-18-9-5-4-8(14(15,16)17)6-10(9)21-12/h4-6H,7H2,1-3H3,(H,18,19,20)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008402
PNG
(CHEMBL3235539)
Show SMILES COc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
Show InChI InChI=1S/C16H13ClN2O2S/c1-21-12-5-6-13-14(9-12)22-16(18-13)19-15(20)8-10-3-2-4-11(17)7-10/h2-7,9H,8H2,1H3,(H,18,19,20)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008403
PNG
(CHEMBL3235540)
Show SMILES FC(F)(F)Oc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
Show InChI InChI=1S/C16H10ClF3N2O2S/c17-10-3-1-2-9(6-10)7-14(23)22-15-21-12-5-4-11(8-13(12)25-15)24-16(18,19)20/h1-6,8H,7H2,(H,21,22,23)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008501
PNG
(CHEMBL3235561)
Show SMILES COc1ccc(CC(=O)Nc2nc3ccc(OC)cc3s2)cc1
Show InChI InChI=1S/C17H16N2O3S/c1-21-12-5-3-11(4-6-12)9-16(20)19-17-18-14-8-7-13(22-2)10-15(14)23-17/h3-8,10H,9H2,1-2H3,(H,18,19,20)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50385909
PNG
(CHEMBL2041586)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)OCc1ccc(o1)-c1ccc(cc1C)[N+]([O-])=O
Show InChI InChI=1S/C25H27NO8/c1-5-30-22-13-17(14-23(31-6-2)24(22)32-7-3)25(27)33-15-19-9-11-21(34-19)20-10-8-18(26(28)29)12-16(20)4/h8-14H,5-7,15H2,1-4H3
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n/an/a 580n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7A1


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008507
PNG
(CHEMBL3235567)
Show SMILES FC(F)(F)Oc1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1
Show InChI InChI=1S/C16H9Cl2F3N2O2S/c17-10-3-1-8(5-11(10)18)6-14(24)23-15-22-12-4-2-9(7-13(12)26-15)25-16(19,20)21/h1-5,7H,6H2,(H,22,23,24)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008425
PNG
(CHEMBL3235554)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
Show InChI InChI=1S/C17H13F3N2O3S/c1-24-13-5-3-2-4-10(13)8-15(23)22-16-21-12-7-6-11(9-14(12)26-16)25-17(18,19)20/h2-7,9H,8H2,1H3,(H,21,22,23)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008412
PNG
(CHEMBL3235546)
Show SMILES COc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1
Show InChI InChI=1S/C16H13ClN2O2S/c1-21-12-6-7-13-14(9-12)22-16(18-13)19-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008362
PNG
(CHEMBL3235183)
Show SMILES Clc1cccc(CC(=O)Nc2nc3ccccc3s2)c1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-5-3-4-10(8-11)9-14(19)18-15-17-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H,17,18,19)
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n/an/a 850n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM77437
PNG
(1-({[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]...)
Show SMILES CCOC(=O)c1sc(NC(=O)C(CC)OC(=O)C(CC(C)C)NC(=O)c2ccccc2)nc1C
Show InChI InChI=1S/C24H31N3O6S/c1-6-18(21(29)27-24-25-15(5)19(34-24)23(31)32-7-2)33-22(30)17(13-14(3)4)26-20(28)16-11-9-8-10-12-16/h8-12,14,17-18H,6-7,13H2,1-5H3,(H,26,28)(H,25,27,29)
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n/an/a 860n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7A1


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50385910
PNG
(CHEMBL2041587)
Show SMILES CC1CCCCC1NC(=O)C(N(CCc1ccccc1Cl)C(=O)CCl)c1ccccc1Cl
Show InChI InChI=1S/C25H29Cl3N2O2/c1-17-8-2-7-13-22(17)29-25(32)24(19-10-4-6-12-21(19)28)30(23(31)16-26)15-14-18-9-3-5-11-20(18)27/h3-6,9-12,17,22,24H,2,7-8,13-16H2,1H3,(H,29,32)
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n/an/a 880n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7A1


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008498
PNG
(CHEMBL3235558)
Show SMILES CCOc1ccc2nc(NC(=O)Cc3cccc(OC)c3)sc2c1
Show InChI InChI=1S/C18H18N2O3S/c1-3-23-14-7-8-15-16(11-14)24-18(19-15)20-17(21)10-12-5-4-6-13(9-12)22-2/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)
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n/an/a 990n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008516
PNG
(IC261)
Show SMILES COc1cc(OC)c(C=C2C(O)=Nc3ccccc23)c(OC)c1 |c:11|
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50359737
PNG
(CHEMBL1927722)
Show SMILES S=c1[nH]c2ccccc2c(=S)n1-c1ccccc1
Show InChI InChI=1S/C14H10N2S2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7A assessed as hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


Eur J Med Chem 47: 175-85 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.040
BindingDB Entry DOI: 10.7270/Q20G3KJS
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008502
PNG
(CHEMBL3235562)
Show SMILES CCOc1ccc2nc(NC(=O)Cc3ccc(OC)cc3)sc2c1
Show InChI InChI=1S/C18H18N2O3S/c1-3-23-14-8-9-15-16(11-14)24-18(19-15)20-17(21)10-12-4-6-13(22-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)
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n/an/a 1.09E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008414
PNG
(CHEMBL3235547)
Show SMILES CCOc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1
Show InChI InChI=1S/C17H15ClN2O2S/c1-2-22-13-7-8-14-15(10-13)23-17(19-14)20-16(21)9-11-3-5-12(18)6-4-11/h3-8,10H,2,9H2,1H3,(H,19,20,21)
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n/an/a 1.11E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008390
PNG
(CHEMBL3235188)
Show SMILES CC(=O)c1sc(NC(=O)Cc2cccc(Cl)c2)nc1C
Show InChI InChI=1S/C14H13ClN2O2S/c1-8-13(9(2)18)20-14(16-8)17-12(19)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,16,17,19)
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n/an/a 1.12E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008510
PNG
(CHEMBL3235570)
Show SMILES COc1ccc2nc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)sc2c1
Show InChI InChI=1S/C19H20N2O5S/c1-23-12-5-6-13-16(10-12)27-19(20-13)21-17(22)9-11-7-14(24-2)18(26-4)15(8-11)25-3/h5-8,10H,9H2,1-4H3,(H,20,21,22)
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CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008419
PNG
(CHEMBL3235550)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C16H13FN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
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n/an/a 1.17E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008404
PNG
(CHEMBL3235541)
Show SMILES CCOc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
Show InChI InChI=1S/C17H15ClN2O2S/c1-2-22-13-6-7-14-15(10-13)23-17(19-14)20-16(21)9-11-4-3-5-12(18)8-11/h3-8,10H,2,9H2,1H3,(H,19,20,21)
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n/an/a 1.21E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008505
PNG
(CHEMBL3235565)
Show SMILES COc1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1
Show InChI InChI=1S/C16H12Cl2N2O2S/c1-22-10-3-5-13-14(8-10)23-16(19-13)20-15(21)7-9-2-4-11(17)12(18)6-9/h2-6,8H,7H2,1H3,(H,19,20,21)
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n/an/a 1.24E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008511
PNG
(CHEMBL3235571)
Show SMILES CCOc1ccc2nc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)sc2c1
Show InChI InChI=1S/C20H22N2O5S/c1-5-27-13-6-7-14-17(11-13)28-20(21-14)22-18(23)10-12-8-15(24-2)19(26-4)16(9-12)25-3/h6-9,11H,5,10H2,1-4H3,(H,21,22,23)
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n/an/a 1.43E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50359736
PNG
(CHEMBL1927721)
Show SMILES Cc1cccc2c1[nH]c(=S)n(-c1ccccc1Br)c2=O |(32.64,-2.62,;32.64,-1.08,;31.31,-.31,;31.31,1.24,;32.64,2.01,;33.97,1.24,;33.98,-.31,;35.32,-1.08,;36.66,-.3,;38,-1.07,;36.65,1.25,;37.98,2.03,;37.98,3.56,;39.3,4.34,;40.64,3.57,;40.65,2.03,;39.32,1.26,;39.32,-.28,;35.3,2.03,;35.3,3.57,)|
Show InChI InChI=1S/C15H11BrN2OS/c1-9-5-4-6-10-13(9)17-15(20)18(14(10)19)12-8-3-2-7-11(12)16/h2-8H,1H3,(H,17,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7A assessed as hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


Eur J Med Chem 47: 175-85 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.040
BindingDB Entry DOI: 10.7270/Q20G3KJS
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50359739
PNG
(CHEMBL1927730)
Show SMILES Clc1cccc2c1[nH]c(=S)n(-c1ccccc1Br)c2=O |(7.12,-23.52,;7.13,-21.98,;5.79,-21.21,;5.8,-19.67,;7.12,-18.9,;8.46,-19.66,;8.46,-21.22,;9.81,-21.99,;11.15,-21.21,;12.48,-21.97,;11.14,-19.65,;12.47,-18.88,;13.81,-19.65,;15.14,-18.88,;15.13,-17.34,;13.79,-16.57,;12.46,-17.35,;11.13,-16.59,;9.79,-18.88,;9.78,-17.34,)|
Show InChI InChI=1S/C14H8BrClN2OS/c15-9-5-1-2-7-11(9)18-13(19)8-4-3-6-10(16)12(8)17-14(18)20/h1-7H,(H,17,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of PDE7A assessed as hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay


Eur J Med Chem 47: 175-85 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.040
BindingDB Entry DOI: 10.7270/Q20G3KJS
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50385906
PNG
(CHEMBL2041597)
Show SMILES COc1cc(COC(=O)c2ccc(o2)-c2ccccc2C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C22H19F3O6/c1-27-18-10-13(11-19(28-2)20(18)29-3)12-30-21(26)17-9-8-16(31-17)14-6-4-5-7-15(14)22(23,24)25/h4-11H,12H2,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A-mediated [3H]cAMP hydrolysis after 20 mins by scintillation proximity assay


J Med Chem 55: 3274-84 (2012)


Article DOI: 10.1021/jm201720d
BindingDB Entry DOI: 10.7270/Q2ZS2XJB
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008367
PNG
(CHEMBL3235186)
Show SMILES O=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C23H19N3O2S/c27-20(26-23-25-18-13-7-8-14-19(18)29-23)15-24-22(28)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,28)(H,25,26,27)
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n/an/a 1.93E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008393
PNG
(CHEMBL3235198)
Show SMILES O=C(Nc1nc2ccccc2s1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H16N2OS/c24-20(23-21-22-17-13-7-8-14-18(17)25-21)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23,24)
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n/an/a 1.96E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008423
PNG
(CHEMBL3235553)
Show SMILES COc1ccc2nc(NC(=O)Cc3ccccc3OC)sc2c1
Show InChI InChI=1S/C17H16N2O3S/c1-21-12-7-8-13-15(10-12)23-17(18-13)19-16(20)9-11-5-3-4-6-14(11)22-2/h3-8,10H,9H2,1-2H3,(H,18,19,20)
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n/an/a 2.22E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
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