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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: P97633   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase I isoform alpha


(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/an/a30



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)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(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/an/a30



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)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(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 |r|
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/an/a30



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)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(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/an/a30



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)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(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 |r|
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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Article
PubMed
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)


Article DOI: 10.1074/jbc.M500805200
BindingDB Entry DOI: 10.7270/Q2Q81B9F
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(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/an/a30



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)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(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 |r|
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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Article
PubMed
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)


Article DOI: 10.1074/jbc.M500805200
BindingDB Entry DOI: 10.7270/Q2Q81B9F
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(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 |r|
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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PubMed
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)


Article DOI: 10.1074/jbc.M500805200
BindingDB Entry DOI: 10.7270/Q2Q81B9F
More data for this
Ligand-Target Pair