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PubMed code 11983514

Compile data set for download or QSAR
Found 17 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))
BDBM7534
PNG
(1H-pyrazolo[3,4-b]quinoxalin-3-amine | pyrazolo[3,...)
Show SMILES Nc1n[nH]c2nc3ccccc3nc12
Show InChI InChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H3,10,12,13,14)
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PubMed
n/an/a 600n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7537
PNG
(3-Amino-6-methyl-1H-pyrazolo[3,4-b]quinoxaline | 6...)
Show SMILES Cc1ccc2nc3[nH]nc(N)c3nc2c1
Show InChI InChI=1S/C10H9N5/c1-5-2-3-6-7(4-5)12-8-9(11)14-15-10(8)13-6/h2-4H,1H3,(H3,11,13,14,15)
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PubMed
n/an/a 3.50E+3n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7535
PNG
(3-Amino-6-trifluoromethyl-1H-pyrazolo[3,4-b]quinox...)
Show SMILES Nc1n[nH]c2nc3ccc(cc3nc12)C(F)(F)F
Show InChI InChI=1S/C10H6F3N5/c11-10(12,13)4-1-2-5-6(3-4)15-7-8(14)17-18-9(7)16-5/h1-3H,(H3,14,16,17,18)
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n/an/a 4.50E+3n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7539
PNG
(3-Amino-6-chloro-1H-pyrazolo[3,4-b]quinoxaline | 6...)
Show SMILES Nc1n[nH]c2nc3ccc(Cl)cc3nc12
Show InChI InChI=1S/C9H6ClN5/c10-4-1-2-5-6(3-4)12-7-8(11)14-15-9(7)13-5/h1-3H,(H3,11,13,14,15)
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PubMed
n/an/a 4.56E+3n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7538
PNG
(3-Amino-6-methoxy-1H-pyrazolo[3,4-b]quinoxaline | ...)
Show SMILES COc1ccc2nc3[nH]nc(N)c3nc2c1
Show InChI InChI=1S/C10H9N5O/c1-16-5-2-3-6-7(4-5)12-8-9(11)14-15-10(8)13-6/h2-4H,1H3,(H3,11,13,14,15)
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PubMed
n/an/a 4.80E+3n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7542
PNG
(1-[3-(dimethylamino)propyl]-1H-pyrazolo[3,4-b]quin...)
Show SMILES CN(C)CCCn1nc(N)c2nc3ccccc3nc12
Show InChI InChI=1S/C14H18N6/c1-19(2)8-5-9-20-14-12(13(15)18-20)16-10-6-3-4-7-11(10)17-14/h3-4,6-7H,5,8-9H2,1-2H3,(H2,15,18)
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n/an/a>1.00E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7547
PNG
(1-[2-(diethylamino)ethyl]-1H-pyrazolo[3,4-b]quinox...)
Show SMILES CCN(CC)CCn1nc(N)c2nc3ccccc3nc12
Show InChI InChI=1S/C15H20N6/c1-3-20(4-2)9-10-21-15-13(14(16)19-21)17-11-7-5-6-8-12(11)18-15/h5-8H,3-4,9-10H2,1-2H3,(H2,16,19)
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n/an/a>1.00E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7545
PNG
(1-[2-(dimethylamino)ethyl]-1H-pyrazolo[3,4-b]quino...)
Show SMILES CN(C)CCn1nc(N)c2nc3ccccc3nc12
Show InChI InChI=1S/C13H16N6/c1-18(2)7-8-19-13-11(12(14)17-19)15-9-5-3-4-6-10(9)16-13/h3-6H,7-8H2,1-2H3,(H2,14,17)
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n/an/a>1.00E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7544
PNG
(1-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-pyrazo...)
Show SMILES CN(C)CCCn1nc(N)c2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C16H22N6/c1-10-8-12-13(9-11(10)2)19-16-14(18-12)15(17)20-22(16)7-5-6-21(3)4/h8-9H,5-7H2,1-4H3,(H2,17,20)
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n/an/a>1.00E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7549
PNG
(1-[2-(diethylamino)ethyl]-6,7-dimethyl-1H-pyrazolo...)
Show SMILES CCN(CC)CCn1nc(N)c2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C17H24N6/c1-5-22(6-2)7-8-23-17-15(16(18)21-23)19-13-9-11(3)12(4)10-14(13)20-17/h9-10H,5-8H2,1-4H3,(H2,18,21)
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n/an/a>1.00E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7548
PNG
(3-Amino-6-chloro-1-(2-diethylamino-ethyl)-1H-pyraz...)
Show SMILES CCN(CC)CCn1nc(N)c2nc3cc(Cl)ccc3nc12
Show InChI InChI=1S/C15H19ClN6/c1-3-21(4-2)7-8-22-15-13(14(17)20-22)18-12-9-10(16)5-6-11(12)19-15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,17,20)
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n/an/a>1.00E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7550
PNG
(1-(pyridin-4-ylcarbonyl)-1H-pyrazolo[3,4-b]quinoxa...)
Show SMILES Nc1nn(C(=O)c2ccncc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C15H10N6O/c16-13-12-14(19-11-4-2-1-3-10(11)18-12)21(20-13)15(22)9-5-7-17-8-6-9/h1-8H,(H2,16,20)
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n/an/a>1.00E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7546
PNG
(3-Amino-6-chloro-1-(2-dimethylamino-ethyl)-1H-pyra...)
Show SMILES CN(C)CCn1nc(N)c2nc3cc(Cl)ccc3nc12
Show InChI InChI=1S/C13H15ClN6/c1-19(2)5-6-20-13-11(12(15)18-20)16-10-7-8(14)3-4-9(10)17-13/h3-4,7H,5-6H2,1-2H3,(H2,15,18)
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n/an/a>1.00E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7543
PNG
(3-Amino-6-chloro-1-(3-dimethylamino-prop-1-yl)-1H-...)
Show SMILES CN(C)CCCn1nc(N)c2nc3cc(Cl)ccc3nc12
Show InChI InChI=1S/C14H17ClN6/c1-20(2)6-3-7-21-14-12(13(16)19-21)17-11-8-9(15)4-5-10(11)18-14/h4-5,8H,3,6-7H2,1-2H3,(H2,16,19)
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n/an/a>1.00E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7541
PNG
(3,6-Dichloro-1H-pyrazolo[3,4-b]quinoxaline | pyraz...)
Show SMILES Clc1n[nH]c2nc3ccc(Cl)cc3nc12
Show InChI InChI=1S/C9H4Cl2N4/c10-4-1-2-5-6(3-4)12-7-8(11)14-15-9(7)13-5/h1-3H,(H,13,14,15)
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n/an/a 1.50E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7536
PNG
(3-Amino-6,7-dimethyl-1H-pyrazolo[3,4-b]quinoxaline...)
Show SMILES Cc1cc2nc3[nH]nc(N)c3nc2cc1C
Show InChI InChI=1S/C11H11N5/c1-5-3-7-8(4-6(5)2)14-11-9(13-7)10(12)15-16-11/h3-4H,1-2H3,(H3,12,14,15,16)
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n/an/a 2.10E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7540
PNG
(3-Chloro-1H-pyrazolo[3,4-b]quinoxaline | pyrazolo[...)
Show SMILES Clc1n[nH]c2nc3ccccc3nc12
Show InChI InChI=1S/C9H5ClN4/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H,12,13,14)
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n/an/a 2.20E+4n/an/an/an/a7.230



Universidad de Navarra



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 10: 2177-84 (2002)


Article DOI: 10.1016/S0968-0896(02)00069-X
BindingDB Entry DOI: 10.7270/Q2ZG6QFX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%