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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein Kinase I


(Rattus norvegicus (rat))
BDBM10842
PNG
(3-(2-aminopyrimidin-4-yl)-7-bromo-1H-indol-4-ol | ...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)ccc(O)c12
Show InChI InChI=1S/C12H9BrN4O/c13-7-1-2-9(18)10-6(5-16-11(7)10)8-3-4-15-12(14)17-8/h1-5,16,18H,(H2,14,15,17)
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n/an/a 400n/an/an/an/a7.230



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...


Bioorg Med Chem Lett 14: 1703-7 (2004)

More data for this
Ligand-Target Pair
Casein Kinase I


(Rattus norvegicus (rat))
BDBM10839
PNG
(3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol | ...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)cc(O)c12
Show InChI InChI=1S/C12H9BrN4O/c13-6-3-9-11(10(18)4-6)7(5-16-9)8-1-2-15-12(14)17-8/h1-5,16,18H,(H2,14,15,17)
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n/an/a 1.00E+3n/an/an/an/a7.230



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...


Bioorg Med Chem Lett 14: 1703-7 (2004)

More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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n/an/a 3.05E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Casein kinase I


J Med Chem 48: 4535-46 (2005)

More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50179207
PNG
(3-fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]...)
Show SMILES COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
Show InChI InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against Casein Kinase 1


J Med Chem 48: 8163-73 (2005)

More data for this
Ligand-Target Pair
Casein Kinase I


(Rattus norvegicus (rat))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 1.70E+4n/an/an/an/a7.230



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...


Bioorg Med Chem Lett 14: 1703-7 (2004)

More data for this
Ligand-Target Pair
Casein Kinase I


(Rattus norvegicus (rat))
BDBM10840
PNG
(4-(5-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-10-8(5-7)9(6-16-10)11-3-4-15-12(14)17-11/h1-6,16H,(H2,14,15,17)
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n/an/a 3.00E+4n/an/an/an/a7.230



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...


Bioorg Med Chem Lett 14: 1703-7 (2004)

More data for this
Ligand-Target Pair
Casein Kinase I


(Rattus norvegicus (rat))
BDBM10841
PNG
(4-(6-bromo-1H-indol-3-yl)pyrimidin-2-amine | Merid...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H9BrN4/c13-7-1-2-8-9(6-16-11(8)5-7)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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n/an/a 1.00E+5n/an/an/an/a7.230



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...


Bioorg Med Chem Lett 14: 1703-7 (2004)

More data for this
Ligand-Target Pair
Casein Kinase I


(Rattus norvegicus (rat))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 1.00E+5n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)

More data for this
Ligand-Target Pair
Casein Kinase I


(Rattus norvegicus (rat))
BDBM10910
PNG
((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...)
Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)

More data for this
Ligand-Target Pair
Casein Kinase I


(Rattus norvegicus (rat))
BDBM10909
PNG
((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...)
Show SMILES CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
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n/an/a>1.00E+6n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)

More data for this
Ligand-Target Pair