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PubMed code 10969976

Compile data set for download or QSAR
Found 13 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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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Article
PubMed
n/an/a 100n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7586
PNG
((2E)-3-[3-(benzyloxy)phenyl]prop-2-enal | Cinnamal...)
Show SMILES O=C\C=C\c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C16H14O2/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h1-12H,13H2/b9-5+
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Article
PubMed
n/an/a 7.50E+3n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7570
PNG
((2E)-3-[2-(benzyloxy)phenyl]prop-2-enal | Cinnamal...)
Show SMILES O=C\C=C\c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C16H14O2/c17-12-6-10-15-9-4-5-11-16(15)18-13-14-7-2-1-3-8-14/h1-12H,13H2/b10-6+
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PubMed
n/an/a 1.10E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7587
PNG
((2E)-3-{3-[(2-methylphenyl)methoxy]phenyl}prop-2-e...)
Show SMILES Cc1ccccc1COc1cccc(\C=C\C=O)c1
Show InChI InChI=1S/C17H16O2/c1-14-6-2-3-9-16(14)13-19-17-10-4-7-15(12-17)8-5-11-18/h2-12H,13H2,1H3/b8-5+
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PubMed
n/an/a 1.50E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7571
PNG
((2E)-3-{2-[(2-methylphenyl)methoxy]phenyl}prop-2-e...)
Show SMILES Cc1ccccc1COc1ccccc1\C=C\C=O
Show InChI InChI=1S/C17H16O2/c1-14-7-2-3-9-16(14)13-19-17-11-5-4-8-15(17)10-6-12-18/h2-12H,13H2,1H3/b10-6+
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7569
PNG
((2E)-3-(3-hydroxyphenyl)prop-2-enal | Cinnamaldehy...)
Show SMILES Oc1cccc(\C=C\C=O)c1
Show InChI InChI=1S/C9H8O2/c10-6-2-4-8-3-1-5-9(11)7-8/h1-7,11H/b4-2+
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PubMed
n/an/a 3.00E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



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. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7568
PNG
((2E)-3-(2-hydroxyphenyl)prop-2-enal | Cinnamaldehy...)
Show SMILES Oc1ccccc1\C=C\C=O
Show InChI InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+
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PubMed
n/an/a 3.50E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7569
PNG
((2E)-3-(3-hydroxyphenyl)prop-2-enal | Cinnamaldehy...)
Show SMILES Oc1cccc(\C=C\C=O)c1
Show InChI InChI=1S/C9H8O2/c10-6-2-4-8-3-1-5-9(11)7-8/h1-7,11H/b4-2+
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PubMed
n/an/a 4.50E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7586
PNG
((2E)-3-[3-(benzyloxy)phenyl]prop-2-enal | Cinnamal...)
Show SMILES O=C\C=C\c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C16H14O2/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h1-12H,13H2/b9-5+
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PubMed
n/an/a 5.00E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



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. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7570
PNG
((2E)-3-[2-(benzyloxy)phenyl]prop-2-enal | Cinnamal...)
Show SMILES O=C\C=C\c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C16H14O2/c17-12-6-10-15-9-4-5-11-16(15)18-13-14-7-2-1-3-8-14/h1-12H,13H2/b10-6+
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PubMed
n/an/a 5.00E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



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. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7587
PNG
((2E)-3-{3-[(2-methylphenyl)methoxy]phenyl}prop-2-e...)
Show SMILES Cc1ccccc1COc1cccc(\C=C\C=O)c1
Show InChI InChI=1S/C17H16O2/c1-14-6-2-3-9-16(14)13-19-17-10-4-7-15(12-17)8-5-11-18/h2-12H,13H2,1H3/b8-5+
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n/an/a 6.00E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



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. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7568
PNG
((2E)-3-(2-hydroxyphenyl)prop-2-enal | Cinnamaldehy...)
Show SMILES Oc1ccccc1\C=C\C=O
Show InChI InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+
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n/an/a 1.30E+5n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



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. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7571
PNG
((2E)-3-{2-[(2-methylphenyl)methoxy]phenyl}prop-2-e...)
Show SMILES Cc1ccccc1COc1ccccc1\C=C\C=O
Show InChI InChI=1S/C17H16O2/c1-14-7-2-3-9-16(14)13-19-17-11-5-4-8-15(17)10-6-12-18/h2-12H,13H2,1H3/b10-6+
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PubMed
n/an/a 2.00E+5n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



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. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%