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PubMed code 11960485

Compile data set for download or QSAR
Found 18 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 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7501
PNG
(4-{(Z)-[4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-3...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H22N2O6S/c1-23-8-6-13(7-9-23)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)30(22,27)28/h2-5,10-11,13,24-25H,6-9H2,1H3,(H2,22,27,28)/b17-10-
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n/an/a 9n/an/an/an/a7.230



Novartis Pharmaceuticals



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


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7501
PNG
(4-{(Z)-[4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-3...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H22N2O6S/c1-23-8-6-13(7-9-23)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)30(22,27)28/h2-5,10-11,13,24-25H,6-9H2,1H3,(H2,22,27,28)/b17-10-
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n/an/a 30n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7500
PNG
((2Z)-4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-2-(4...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N(=O)=O)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H20N2O6/c1-22-8-6-13(7-9-22)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)23(27)28/h2-5,10-11,13,24-25H,6-9H2,1H3/b17-10-
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n/an/a 60n/an/an/an/a7.230



Novartis Pharmaceuticals



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


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
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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n/an/a 100n/an/an/an/a7.230



Novartis Pharmaceuticals



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


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7498
PNG
((2Z)-2-benzylidene-4,6-dihydroxy-7-(1-methylpiperi...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H21NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,11-12,14,23-24H,7-10H2,1H3/b17-11-
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n/an/a 110n/an/an/an/a7.230



Novartis Pharmaceuticals



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


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(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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n/an/a 220n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7500
PNG
((2Z)-4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-2-(4...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N(=O)=O)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H20N2O6/c1-22-8-6-13(7-9-22)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)23(27)28/h2-5,10-11,13,24-25H,6-9H2,1H3/b17-10-
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n/an/a 310n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
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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n/an/a 400n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7499
PNG
((2Z)-2-(2-chlorobenzylidene)-4,6-dihydroxy-7-(1-me...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3Cl)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H20ClNO4/c1-23-8-6-12(7-9-23)18-15(24)11-16(25)19-20(26)17(27-21(18)19)10-13-4-2-3-5-14(13)22/h2-5,10-12,24-25H,6-9H2,1H3/b17-10-
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n/an/a 600n/an/an/an/a7.230



Novartis Pharmaceuticals



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


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7502
PNG
((2Z)-4,6-dihydroxy-2-[4-(4-methylpiperazin-1-yl)be...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N3CCN(C)CC3)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C26H31N3O4/c1-27-9-7-18(8-10-27)23-20(30)16-21(31)24-25(32)22(33-26(23)24)15-17-3-5-19(6-4-17)29-13-11-28(2)12-14-29/h3-6,15-16,18,30-31H,7-14H2,1-2H3/b22-15-
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n/an/a 800n/an/an/an/a7.230



Novartis Pharmaceuticals



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


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7498
PNG
((2Z)-2-benzylidene-4,6-dihydroxy-7-(1-methylpiperi...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H21NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,11-12,14,23-24H,7-10H2,1H3/b17-11-
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n/an/a 1.28E+3n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7501
PNG
(4-{(Z)-[4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-3...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H22N2O6S/c1-23-8-6-13(7-9-23)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)30(22,27)28/h2-5,10-11,13,24-25H,6-9H2,1H3,(H2,22,27,28)/b17-10-
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n/an/a 1.87E+3n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7502
PNG
((2Z)-4,6-dihydroxy-2-[4-(4-methylpiperazin-1-yl)be...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N3CCN(C)CC3)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C26H31N3O4/c1-27-9-7-18(8-10-27)23-20(30)16-21(31)24-25(32)22(33-26(23)24)15-17-3-5-19(6-4-17)29-13-11-28(2)12-14-29/h3-6,15-16,18,30-31H,7-14H2,1-2H3/b22-15-
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n/an/a 1.92E+3n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7500
PNG
((2Z)-4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-2-(4...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N(=O)=O)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H20N2O6/c1-22-8-6-13(7-9-22)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)23(27)28/h2-5,10-11,13,24-25H,6-9H2,1H3/b17-10-
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n/an/a 2.21E+3n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7502
PNG
((2Z)-4,6-dihydroxy-2-[4-(4-methylpiperazin-1-yl)be...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N3CCN(C)CC3)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C26H31N3O4/c1-27-9-7-18(8-10-27)23-20(30)16-21(31)24-25(32)22(33-26(23)24)15-17-3-5-19(6-4-17)29-13-11-28(2)12-14-29/h3-6,15-16,18,30-31H,7-14H2,1-2H3/b22-15-
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n/an/a 2.98E+3n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7499
PNG
((2Z)-2-(2-chlorobenzylidene)-4,6-dihydroxy-7-(1-me...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3Cl)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H20ClNO4/c1-23-8-6-12(7-9-23)18-15(24)11-16(25)19-20(26)17(27-21(18)19)10-13-4-2-3-5-14(13)22/h2-5,10-12,24-25H,6-9H2,1H3/b17-10-
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n/an/a 3.97E+3n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7498
PNG
((2Z)-2-benzylidene-4,6-dihydroxy-7-(1-methylpiperi...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H21NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,11-12,14,23-24H,7-10H2,1H3/b17-11-
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n/an/a 4.41E+3n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7499
PNG
((2Z)-2-(2-chlorobenzylidene)-4,6-dihydroxy-7-(1-me...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3Cl)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H20ClNO4/c1-23-8-6-12(7-9-23)18-15(24)11-16(25)19-20(26)17(27-21(18)19)10-13-4-2-3-5-14(13)22/h2-5,10-12,24-25H,6-9H2,1H3/b17-10-
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PubMed
n/an/a 2.53E+4n/an/an/an/a7.237



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm0108348
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%