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Compile Data Set for Download or QSAR

Found 71 hits of affinity data for UniProtKB/TrEMBL: O19175   
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 alpha


(Sus scrofa)
BDBM50426312
PNG
(CHEMBL2321951)
Show SMILES COC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1
Show InChI InChI=1S/C18H13N3O4/c1-25-18(23)9-6-7-13-11(8-9)15(21-24)16(19-13)14-10-4-2-3-5-12(10)20-17(14)22/h2-8,14,19H,1H3,(H,20,22)
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n/an/a 300n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426336
PNG
(CHEMBL2321952)
Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc34)c(N=O)c2c1
Show InChI InChI=1S/C17H11N3O4/c21-16-13(9-3-1-2-4-11(9)19-16)15-14(20-24)10-7-8(17(22)23)5-6-12(10)18-15/h1-7,13,18H,(H,19,21)(H,22,23)
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n/an/a 420n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426310
PNG
(CHEMBL2321967)
Show SMILES COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H12N2O4/c1-24-18(23)9-6-7-13-11(8-9)16(21)15(19-13)14-10-4-2-3-5-12(10)20-17(14)22/h2-8,19H,1H3,(H,20,22)/b15-14-
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n/an/a 580n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426334
PNG
(CHEMBL2321948)
Show SMILES Brc1cccc2C(C(=O)Nc12)=C1Nc2ccc(CN=O)cc2C1=O |w:11.13|
Show InChI InChI=1S/C17H10BrN3O3/c18-11-3-1-2-9-13(17(23)21-14(9)11)15-16(22)10-6-8(7-19-24)4-5-12(10)20-15/h1-6,20H,7H2,(H,21,23)
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n/an/a 800n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426313
PNG
(CHEMBL2321959)
Show SMILES OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H11N3O4/c21-16-13(9-3-1-2-4-11(9)19-16)15-14(20-24)10-6-5-8(17(22)23)7-12(10)18-15/h1-7,13,18H,(H,19,21)(H,22,23)
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n/an/a 800n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM7401
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -oxime | (3E)-6-bromo...)
Show SMILES Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426314
PNG
(CHEMBL2321968)
Show SMILES OC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H10N2O4/c20-15-10-7-8(17(22)23)5-6-12(10)18-14(15)13-9-3-1-2-4-11(9)19-16(13)21/h1-7,18H,(H,19,21)(H,22,23)/b14-13-
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426330
PNG
(CHEMBL2321974)
Show SMILES OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H10N2O4/c20-15-10-6-5-8(17(22)23)7-12(10)18-14(15)13-9-3-1-2-4-11(9)19-16(13)21/h1-7,18H,(H,19,21)(H,22,23)/b14-13-
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426335
PNG
(CHEMBL2321878)
Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1
Show InChI InChI=1S/C18H10F3N3O4/c19-18(20,21)10-3-1-2-8-12(16(25)23-13(8)10)15-14(24-28)9-6-7(17(26)27)4-5-11(9)22-15/h1-6,12,22H,(H,23,25)(H,26,27)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426339
PNG
(CHEMBL2321961)
Show SMILES COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F
Show InChI InChI=1S/C19H12F3N3O4/c1-29-18(27)8-5-6-9-12(7-8)23-16(15(9)25-28)13-10-3-2-4-11(19(20,21)22)14(10)24-17(13)26/h2-7,13,23H,1H3,(H,24,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426315
PNG
(CHEMBL2321962)
Show SMILES OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C17H10BrN3O4/c18-10-3-1-2-9-12(16(22)20-13(9)10)15-14(21-25)8-5-4-7(17(23)24)6-11(8)19-15/h1-6,12,19H,(H,20,22)(H,23,24)
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426331
PNG
(CHEMBL2321965)
Show SMILES Brc1cccc2C(C(=O)Nc12)c1[nH]c2ccc(CN=O)cc2c1N=O
Show InChI InChI=1S/C17H11BrN4O3/c18-11-3-1-2-9-13(17(23)21-14(9)11)16-15(22-25)10-6-8(7-19-24)4-5-12(10)20-16/h1-6,13,20H,7H2,(H,21,23)
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426333
PNG
(CHEMBL2321945)
Show SMILES OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C17H9BrN2O4/c18-10-3-1-2-9-12(16(22)20-13(9)10)14-15(21)8-5-4-7(17(23)24)6-11(8)19-14/h1-6,19H,(H,20,22)(H,23,24)/b14-12-
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50191425
PNG
((2'Z,3'E)-7-bromo-1-methylindirubin-3'-oxime | CHE...)
Show SMILES Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c12 |(16.04,-29.76,;14.79,-28.85,;13.33,-29.34,;12.86,-30.81,;12.42,-28.1,;10.88,-28.11,;9.98,-29.37,;8.5,-28.9,;7.16,-29.67,;5.82,-28.9,;5.82,-27.35,;7.15,-26.58,;8.49,-27.34,;9.97,-26.86,;10.19,-25.33,;8.97,-24.37,;13.32,-26.85,;13,-25.36,;14.13,-24.33,;15.6,-24.8,;15.92,-26.3,;17.39,-26.77,;14.78,-27.32,)|
Show InChI InChI=1S/C17H12BrN3O2/c1-21-16-10(6-4-7-11(16)18)13(17(21)22)15-14(20-23)9-5-2-3-8-12(9)19-15/h2-8,19,22H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50191442
PNG
((2'Z)-7-bromo-1-methylindirubin | CHEMBL375870)
Show SMILES Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(Br)c12 |t:5|
Show InChI InChI=1S/C17H11BrN2O2/c1-20-15-10(6-4-7-11(15)18)13(17(20)22)14-16(21)9-5-2-3-8-12(9)19-14/h2-8,22H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM7287
PNG
(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)
Show SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Show InChI InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50346235
PNG
(9-azapaullone | CHEMBL1782168)
Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1
Show InChI InChI=1S/C15H11N3O/c19-14-7-10-11-8-16-6-5-13(11)18-15(10)9-3-1-2-4-12(9)17-14/h1-6,8,18H,7H2,(H,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50346236
PNG
(9-Benzyl-6-oxo-5,6,7,12-tetrahydro-5,12-diaza-9-az...)
Show SMILES O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1
Show InChI InChI=1S/C22H17N3O/c26-21-12-17-18-14-25(13-15-6-2-1-3-7-15)11-10-20(18)24-22(17)16-8-4-5-9-19(16)23-21/h1-11,14H,12-13H2,(H,23,26)/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50346237
PNG
(9-Oxy-5,12-dihydro-7H-5,9,12-triaza-dibenzo[a,e]az...)
Show SMILES [O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C15H11N3O2/c19-14-7-10-11-8-18(20)6-5-13(11)17-15(10)9-3-1-2-4-12(9)16-14/h1-6,8,17H,7H2,(H,16,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting


Bioorg Med Chem Lett 20: 4940-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.024
BindingDB Entry DOI: 10.7270/Q21836T2
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426332
PNG
(CHEMBL2321964)
Show SMILES OCc1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
Show InChI InChI=1S/C17H12BrN3O3/c18-11-3-1-2-9-13(17(23)20-14(9)11)16-15(21-24)10-6-8(7-22)4-5-12(10)19-16/h1-6,13,19,22H,7H2,(H,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426316
PNG
(CHEMBL2321963)
Show SMILES OC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2C(F)(F)F
Show InChI InChI=1S/C18H10F3N3O4/c19-18(20,21)10-3-1-2-9-12(16(25)23-13(9)10)15-14(24-28)8-5-4-7(17(26)27)6-11(8)22-15/h1-6,12,22H,(H,23,25)(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426317
PNG
(CHEMBL2321960)
Show SMILES COC(=O)c1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C18H12BrN3O4/c1-26-18(24)8-5-6-9-12(7-8)20-16(15(9)22-25)13-10-3-2-4-11(19)14(10)21-17(13)23/h2-7,13,20H,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426338
PNG
(CHEMBL2321958)
Show SMILES CN1C(=O)C(c2cccc(Br)c12)c1[nH]c2ccc(cc2c1N=O)C(O)=O
Show InChI InChI=1S/C18H12BrN3O4/c1-22-16-9(3-2-4-11(16)19)13(17(22)23)15-14(21-26)10-7-8(18(24)25)5-6-12(10)20-15/h2-7,13,20H,1H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426318
PNG
(CHEMBL2321957)
Show SMILES COC(=O)c1ccc2[nH]c(C3C(=O)N(C)c4c3cccc4Br)c(N=O)c2c1
Show InChI InChI=1S/C19H14BrN3O4/c1-23-17-10(4-3-5-12(17)20)14(18(23)24)16-15(22-26)11-8-9(19(25)27-2)6-7-13(11)21-16/h3-8,14,21H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426337
PNG
(CHEMBL1233659)
Show SMILES OC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
Show InChI InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,12,19H,(H,20,22)(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426319
PNG
(CHEMBL2321956)
Show SMILES FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccc(cc2c1N=O)-c1nnn[nH]1
Show InChI InChI=1S/C18H10F3N7O2/c19-18(20,21)10-3-1-2-8-12(17(29)23-13(8)10)15-14(26-30)9-6-7(4-5-11(9)22-15)16-24-27-28-25-16/h1-6,12,22H,(H,23,29)(H,24,25,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426320
PNG
(CHEMBL2321955)
Show SMILES FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccc(cc2c1N=O)C#N
Show InChI InChI=1S/C18H9F3N4O2/c19-18(20,21)11-3-1-2-9-13(17(26)24-14(9)11)16-15(25-27)10-6-8(7-22)4-5-12(10)23-16/h1-6,13,23H,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426321
PNG
(CHEMBL2321954)
Show SMILES COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4C(F)(F)F)c(N=O)c2c1
Show InChI InChI=1S/C19H12F3N3O4/c1-29-18(27)8-5-6-12-10(7-8)15(25-28)16(23-12)13-9-3-2-4-11(19(20,21)22)14(9)24-17(13)26/h2-7,13,23H,1H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426322
PNG
(CHEMBL2321953)
Show SMILES COC(=O)c1ccc2[nH]c(C3C(=O)Nc4c3cccc4Br)c(N=O)c2c1
Show InChI InChI=1S/C18H12BrN3O4/c1-26-18(24)8-5-6-12-10(7-8)15(22-25)16(20-12)13-9-3-2-4-11(19)14(9)21-17(13)23/h2-7,13,20H,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426324
PNG
(CHEMBL2321949)
Show SMILES FC(F)(F)c1cccc2C(C(=O)Nc12)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C17H10F3N3O2/c18-17(19,20)10-6-3-5-9-12(16(24)22-13(9)10)15-14(23-25)8-4-1-2-7-11(8)21-15/h1-7,12,21H,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426325
PNG
(CHEMBL2321947)
Show SMILES OCc1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C17H11BrN2O3/c18-11-3-1-2-9-13(17(23)20-14(9)11)15-16(22)10-6-8(7-21)4-5-12(10)19-15/h1-6,19,21H,7H2,(H,20,23)/b15-13-
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426326
PNG
(CHEMBL2321946)
Show SMILES OC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2C(F)(F)F
Show InChI InChI=1S/C18H9F3N2O4/c19-18(20,21)10-3-1-2-9-12(16(25)23-13(9)10)14-15(24)8-5-4-7(17(26)27)6-11(8)22-14/h1-6,22H,(H,23,25)(H,26,27)/b14-12-
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426327
PNG
(CHEMBL2322019)
Show SMILES COC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2C(F)(F)F
Show InChI InChI=1S/C19H11F3N2O4/c1-28-18(27)8-5-6-9-12(7-8)23-15(16(9)25)13-10-3-2-4-11(19(20,21)22)14(10)24-17(13)26/h2-7,23H,1H3,(H,24,26)/b15-13-
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426328
PNG
(CHEMBL2321975)
Show SMILES COC(=O)c1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C18H11BrN2O4/c1-25-18(24)8-5-6-9-12(7-8)20-15(16(9)22)13-10-3-2-4-11(19)14(10)21-17(13)23/h2-7,20H,1H3,(H,21,23)/b15-13-
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426329
PNG
(CHEMBL2321973)
Show SMILES COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)N(C)c2c1cccc2Br
Show InChI InChI=1S/C19H13BrN2O4/c1-22-16-10(4-3-5-12(16)20)14(18(22)24)15-17(23)11-8-9(19(25)26-2)6-7-13(11)21-15/h3-8,21H,1-2H3/b15-14-
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426306
PNG
(CHEMBL2321972)
Show SMILES FC(F)(F)c1cccc2C(C(=O)Nc12)=C1Nc2ccc(cc2C1=O)-c1nnn[nH]1 |w:14.16|
Show InChI InChI=1S/C18H9F3N6O2/c19-18(20,21)10-3-1-2-8-12(17(29)23-13(8)10)14-15(28)9-6-7(4-5-11(9)22-14)16-24-26-27-25-16/h1-6,22H,(H,23,29)(H,24,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426307
PNG
(CHEMBL2321971)
Show SMILES FC(F)(F)c1cccc2\C(C(=O)Nc12)=C1\Nc2ccc(cc2C1=O)C#N
Show InChI InChI=1S/C18H8F3N3O2/c19-18(20,21)11-3-1-2-9-13(17(26)24-14(9)11)15-16(25)10-6-8(7-22)4-5-12(10)23-15/h1-6,23H,(H,24,26)/b15-13-
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426308
PNG
(CHEMBL2321970)
Show SMILES COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2C(F)(F)F
Show InChI InChI=1S/C19H11F3N2O4/c1-28-18(27)8-5-6-12-10(7-8)16(25)15(23-12)13-9-3-2-4-11(19(20,21)22)14(9)24-17(13)26/h2-7,23H,1H3,(H,24,26)/b15-13-
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50426309
PNG
(CHEMBL2321969)
Show SMILES COC(=O)c1ccc2N\C(C(=O)c2c1)=C1/C(=O)Nc2c1cccc2Br
Show InChI InChI=1S/C18H11BrN2O4/c1-25-18(24)8-5-6-12-10(7-8)16(22)15(20-12)13-9-3-2-4-11(19)14(9)21-17(13)23/h2-7,20H,1H3,(H,21,23)/b15-13-
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431995
PNG
(CHEMBL2348725)
Show SMILES O=C(Nc1n[nH]c(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H11N3O2/c19-14(10-6-2-1-3-7-10)16-13-11-8-4-5-9-12(11)15(20)18-17-13/h1-9H,(H,18,20)(H,16,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431996
PNG
(CHEMBL2348724)
Show SMILES Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C8H7N3O/c9-7-5-3-1-2-4-6(5)8(12)11-10-7/h1-4H,(H2,9,10)(H,11,12)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431997
PNG
(CHEMBL2348723)
Show SMILES CC(C)C(=O)Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C12H13N3O2/c1-7(2)11(16)13-10-8-5-3-4-6-9(8)12(17)15-14-10/h3-7H,1-2H3,(H,15,17)(H,13,14,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431998
PNG
(CHEMBL2348745)
Show SMILES CC(=O)Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C10H9N3O2/c1-6(14)11-9-7-4-2-3-5-8(7)10(15)13-12-9/h2-5H,1H3,(H,13,15)(H,11,12,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50431999
PNG
(CHEMBL2348744)
Show SMILES O=C(Cc1ccccc1)Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C16H13N3O2/c20-14(10-11-6-2-1-3-7-11)17-15-12-8-4-5-9-13(12)16(21)19-18-15/h1-9H,10H2,(H,19,21)(H,17,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432000
PNG
(CHEMBL2348743)
Show SMILES CCCCCC(=O)Nc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C14H17N3O2/c1-2-3-4-9-12(18)15-13-10-7-5-6-8-11(10)14(19)17-16-13/h5-8H,2-4,9H2,1H3,(H,17,19)(H,15,16,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432001
PNG
(CHEMBL2348742)
Show SMILES CC(C)C(=O)N(C(=O)C(C)C)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C16H19N3O3/c1-9(2)15(21)19(16(22)10(3)4)13-11-7-5-6-8-12(11)14(20)18-17-13/h5-10H,1-4H3,(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50432002
PNG
(CHEMBL2348741)
Show SMILES CC(=O)N(C(C)=O)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C12H11N3O3/c1-7(16)15(8(2)17)11-9-5-3-4-6-10(9)12(18)14-13-11/h3-6H,1-2H3,(H,14,18)
PDB

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PC cid
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP


Bioorg Med Chem Lett 23: 2007-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.027
BindingDB Entry DOI: 10.7270/Q2T1551T
More data for this
Ligand-Target Pair
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