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Compile Data Set for Download or QSAR

Found 16 hits of Enz. Inhib. data with enzyme = 'Cdc7 Kinase' and Substrate = 'His6-tagged MCM2'   
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
Cdc7 Kinase


(Homo sapiens (human))
BDBM27427
PNG
(8-methyl-11-thia-9,14,16-triazatetracyclo[8.7.0.0^...)
Show SMILES Cc1nc2sc3c(N)ncnc3c2c2CCCCc12
Show InChI InChI=1S/C14H14N4S/c1-7-8-4-2-3-5-9(8)10-11-12(19-14(10)18-7)13(15)17-6-16-11/h6H,2-5H2,1H3,(H2,15,16,17)
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0.5 -13.2 5n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27428
PNG
(12-ethyl-11,13-dimethyl-8-thia-3,5,10-triazatricyc...)
Show SMILES CCc1c(C)nc2sc3c(N)ncnc3c2c1C
Show InChI InChI=1S/C13H14N4S/c1-4-8-6(2)9-10-11(12(14)16-5-15-10)18-13(9)17-7(8)3/h5H,4H2,1-3H3,(H2,14,15,16)
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1 -12.8 10n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27429
PNG
(9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.0^...)
Show SMILES Cc1c2CCCCc2nc2sc3c(N)ncnc3c12
Show InChI InChI=1S/C14H14N4S/c1-7-8-4-2-3-5-9(8)18-14-10(7)11-12(19-14)13(15)17-6-16-11/h6H,2-5H2,1H3,(H2,15,16,17)
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2 -12.3 20n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27430
PNG
(11,13-dimethyl-12-(prop-2-en-1-yl)-8-thia-3,5,10-t...)
Show SMILES Cc1nc2sc3c(N)ncnc3c2c(C)c1CC=C
Show InChI InChI=1S/C14H14N4S/c1-4-5-9-7(2)10-11-12(13(15)17-6-16-11)19-14(10)18-8(9)3/h4,6H,1,5H2,2-3H3,(H2,15,16,17)
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2 -12.3 20n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27431
PNG
(7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.0^...)
Show SMILES Cc1nc2sc3c(N)ncnc3c2c2CCCc12
Show InChI InChI=1S/C13H12N4S/c1-6-7-3-2-4-8(7)9-10-11(18-13(9)17-6)12(14)16-5-15-10/h5H,2-4H2,1H3,(H2,14,15,16)
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3 -12.1 30n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27432
PNG
(11,12,13-trimethyl-8-thia-3,5,10-triazatricyclo[7....)
Show SMILES Cc1nc2sc3c(N)ncnc3c2c(C)c1C
Show InChI InChI=1S/C12H12N4S/c1-5-6(2)8-9-10(11(13)15-4-14-9)17-12(8)16-7(5)3/h4H,1-3H3,(H2,13,14,15)
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4 -11.9 40n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27433
PNG
(16-methyl-8-thia-3,5,10-triazatetracyclo[7.7.0.0^{...)
Show SMILES Cc1c2CCCc2nc2sc3c(N)ncnc3c12
Show InChI InChI=1S/C13H12N4S/c1-6-7-3-2-4-8(7)17-13-9(6)10-11(18-13)12(14)16-5-15-10/h5H,2-4H2,1H3,(H2,14,15,16)
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5 -11.8 50n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27434
PNG
(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0....)
Show SMILES Cc1cc(C)c2c(n1)sc1c(N)ncnc21
Show InChI InChI=1S/C11H10N4S/c1-5-3-6(2)15-11-7(5)8-9(16-11)10(12)14-4-13-8/h3-4H,1-2H3,(H2,12,13,14)
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40 -10.5 400n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27435
PNG
(12-benzyl-11,13-dimethyl-8-thia-3,5,10-triazatricy...)
Show SMILES Cc1nc2sc3c(N)ncnc3c2c(C)c1Cc1ccccc1
Show InChI InChI=1S/C18H16N4S/c1-10-13(8-12-6-4-3-5-7-12)11(2)22-18-14(10)15-16(23-18)17(19)21-9-20-15/h3-7,9H,8H2,1-2H3,(H2,19,20,21)
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200 -9.50 2.00E+3n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27436
PNG
(11-cyclopropyl-13-(trifluoromethyl)-8-thia-3,5,10-...)
Show SMILES Nc1ncnc2c1sc1nc(cc(c21)C(F)(F)F)C1CC1
Show InChI InChI=1S/C13H9F3N4S/c14-13(15,16)6-3-7(5-1-2-5)20-12-8(6)9-10(21-12)11(17)19-4-18-9/h3-5H,1-2H2,(H2,17,18,19)
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400 -9.07 4.00E+3n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27437
PNG
(12-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,...)
Show SMILES Nc1ncnc2c3cc(cnc3sc12)-c1ccccc1
Show InChI InChI=1S/C15H10N4S/c16-14-13-12(18-8-19-14)11-6-10(7-17-15(11)20-13)9-4-2-1-3-5-9/h1-8H,(H2,16,18,19)
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900 -8.57 9.00E+3n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27438
PNG
(ethyl 6-amino-11-methyl-8-thia-3,5,10-triazatricyc...)
Show SMILES CCOC(=O)c1cc2c(nc1C)sc1c(N)ncnc21
Show InChI InChI=1S/C13H12N4O2S/c1-3-19-13(18)7-4-8-9-10(11(14)16-5-15-9)20-12(8)17-6(7)2/h4-5H,3H2,1-2H3,(H2,14,15,16)
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1.00E+3 -8.51 1.00E+4n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27439
PNG
(8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca...)
Show SMILES Nc1ncnc2c3cccnc3sc12
Show InChI InChI=1S/C9H6N4S/c10-8-7-6(12-4-13-8)5-2-1-3-11-9(5)14-7/h1-4H,(H2,10,12,13)
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1.20E+3 -8.40 1.20E+4n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27440
PNG
(N,11,13-trimethyl-8-thia-3,5,10-triazatricyclo[7.4...)
Show SMILES CNc1ncnc2c1sc1nc(C)cc(C)c21
Show InChI InChI=1S/C12H12N4S/c1-6-4-7(2)16-12-8(6)9-10(17-12)11(13-3)15-5-14-9/h4-5H,1-3H3,(H,13,14,15)
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>3.00E+3>-7.83>3.00E+4n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27441
PNG
(N,N,11,13-tetramethyl-8-thia-3,5,10-triazatricyclo...)
Show SMILES CN(C)c1ncnc2c1sc1nc(C)cc(C)c21
Show InChI InChI=1S/C13H14N4S/c1-7-5-8(2)16-13-9(7)10-11(18-13)12(17(3)4)15-6-14-10/h5-6H,1-4H3
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>3.00E+3>-7.83>3.00E+4n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (human))
BDBM27442
PNG
(11,13-dimethyl-N-phenyl-8-thia-3,5,10-triazatricyc...)
Show SMILES Cc1cc(C)c2c(n1)sc1c(Nc3ccccc3)ncnc21
Show InChI InChI=1S/C17H14N4S/c1-10-8-11(2)20-17-13(10)14-15(22-17)16(19-9-18-14)21-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19,21)
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>3.00E+3>-7.83>3.00E+4n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair