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Compile Data Set for Download or QSAR

Found 1061 hits Enz. Inhib. hit(s) with Target = 'Cell division cycle 7-related protein kinase'   
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
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506348
PNG
(CHEMBL4436649)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C12CC(C1)CN2 |(44.2,-7.72,;43.11,-5.71,;31.25,-8.66,;30.77,-7.21,;29.3,-6.74,;29.3,-5.2,;30.76,-4.72,;31.68,-5.96,;33.22,-5.94,;34.12,-7.19,;35.58,-6.69,;36.92,-7.46,;38.25,-6.69,;38.25,-5.15,;36.92,-4.38,;36.92,-2.84,;35.58,-5.15,;34.11,-4.69,;39.57,-7.47,;40.98,-6.84,;42,-7.99,;40.57,-8.32,;41.24,-9.32,;39.73,-9,)|
Show InChI InChI=1S/C15H15N5OS/c1-7-9(6-17-20-7)11-2-10-12(22-11)13(21)19-14(18-10)15-3-8(4-15)5-16-15/h2,6,8,16H,3-5H2,1H3,(H,17,20)(H,18,19,21)
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n/an/a 0.160n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506358
PNG
(CHEMBL4462898)
Show SMILES Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C12CCC(CC1)N2
Show InChI InChI=1S/C16H17N5OS/c1-8-10(7-17-21-8)12-6-11-13(23-12)14(22)19-15(18-11)16-4-2-9(20-16)3-5-16/h6-7,9,20H,2-5H2,1H3,(H,17,21)(H,18,19,22)
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n/an/a 0.160n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506350
PNG
(Simurosertib | Tak 931 | Tak-931)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC2CCN1CC2 |wD:16.18,(23.9,-5.5,;23.5,-6.99,;22.05,-7.46,;22.05,-9,;23.5,-9.47,;24.42,-8.23,;25.96,-8.23,;26.79,-6.94,;28.26,-7.33,;29.55,-6.49,;30.92,-7.17,;31.02,-8.7,;29.74,-9.56,;29.74,-11.1,;28.36,-8.87,;26.92,-9.42,;32.26,-6.4,;32.26,-4.86,;33.59,-4.09,;34.93,-4.86,;34.93,-6.4,;33.59,-7.17,;33.99,-5.69,;33.19,-5.58,)|
Show InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506351
PNG
(CHEMBL4439133)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m0../s1
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n/an/a 0.410n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506359
PNG
(CHEMBL4570191)
Show SMILES Cl.FC(F)(F)c1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H14F3N5OS.ClH/c16-15(17,18)12-7(6-20-23-12)10-5-9-11(25-10)14(24)22-13(21-9)8-3-1-2-4-19-8;/h5-6,8,19H,1-4H2,(H,20,23)(H,21,22,24);1H/t8-;/m0./s1
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n/an/a 0.430n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506351
PNG
(CHEMBL4439133)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m0../s1
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n/an/a 0.440n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506353
PNG
(CHEMBL4543158)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC=CCN1 |r,c:21|
Show InChI InChI=1S/C15H15N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h2-3,6-7,10,16H,4-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m0../s1
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n/an/a 0.530n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506350
PNG
(Simurosertib | Tak 931 | Tak-931)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC2CCN1CC2 |wD:16.18,(23.9,-5.5,;23.5,-6.99,;22.05,-7.46,;22.05,-9,;23.5,-9.47,;24.42,-8.23,;25.96,-8.23,;26.79,-6.94,;28.26,-7.33,;29.55,-6.49,;30.92,-7.17,;31.02,-8.7,;29.74,-9.56,;29.74,-11.1,;28.36,-8.87,;26.92,-9.42,;32.26,-6.4,;32.26,-4.86,;33.59,-4.09,;34.93,-4.86,;34.93,-6.4,;33.59,-7.17,;33.99,-5.69,;33.19,-5.58,)|
Show InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50237672
PNG
(CHEMBL4089159)
Show SMILES COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|
Show InChI InChI=1S/C20H14ClN3O4/c1-27-20(26)16-17(25)15(9-11-10-23-18-12(11)5-4-8-22-18)28-19(16)24-14-7-3-2-6-13(14)21/h2-10,24H,1H3,(H,22,23)/b15-9-
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n/an/a 0.600n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression syst...


Eur J Med Chem 130: 406-418 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.030
BindingDB Entry DOI: 10.7270/Q2X63Q71
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506356
PNG
(CHEMBL4569914)
Show SMILES Cl.Cl.C[C@H]1CCN[C@@H]1c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-7-3-4-16-12(7)14-18-10-5-11(9-6-17-20-8(9)2)22-13(10)15(21)19-14;;/h5-7,12,16H,3-4H2,1-2H3,(H,17,20)(H,18,19,21);2*1H/t7-,12-;;/m0../s1
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n/an/a 0.610n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443648
PNG
(CHEMBL3093076)
Show SMILES Fc1ncccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C18H15FN6O/c19-15-12(4-2-7-20-15)14(10-5-6-10)23-18-25-24-17(26-18)13-9-22-16-11(13)3-1-8-21-16/h1-4,7-10,14H,5-6H2,(H,21,22)(H,23,25)/t14-/m1/s1
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n/an/a 0.690n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50253706
PNG
(CHEMBL4083927)
Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1
Show InChI InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)
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n/an/a 0.700n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...


Bioorg Med Chem 25: 3658-3670 (2017)


Article DOI: 10.1016/j.bmc.2017.04.044
BindingDB Entry DOI: 10.7270/Q26H4KTZ
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50253706
PNG
(CHEMBL4083927)
Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1
Show InChI InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)
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n/an/a 0.700n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506362
PNG
(CHEMBL4440266)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C14H15N5OS.2ClH/c1-7-8(6-16-19-7)11-5-10-12(21-11)14(20)18-13(17-10)9-3-2-4-15-9;;/h5-6,9,15H,2-4H2,1H3,(H,16,19)(H,17,18,20);2*1H/t9-;;/m0../s1
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n/an/a 0.710n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506359
PNG
(CHEMBL4570191)
Show SMILES Cl.FC(F)(F)c1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H14F3N5OS.ClH/c16-15(17,18)12-7(6-20-23-12)10-5-9-11(25-10)14(24)22-13(21-9)8-3-1-2-4-19-8;/h5-6,8,19H,1-4H2,(H,20,23)(H,21,22,24);1H/t8-;/m0./s1
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n/an/a 0.720n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443649
PNG
(CHEMBL3093075)
Show SMILES Fc1ccccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C19H16FN5O/c20-15-6-2-1-4-13(15)16(11-7-8-11)23-19-25-24-18(26-19)14-10-22-17-12(14)5-3-9-21-17/h1-6,9-11,16H,7-8H2,(H,21,22)(H,23,25)/t16-/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506347
PNG
(CHEMBL4587191)
Show SMILES Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@H]1CCCCN1 |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-17-20-8)12-6-11-13(22-12)15(21)19-14(18-11)10-4-2-3-5-16-10;;/h6-7,10,16H,2-5H2,1H3,(H,17,20)(H,18,19,21);2*1H/t10-;;/m1../s1
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n/an/a 0.910n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636614
PNG
((S)-5-(2-methoxy-1-(1H- pyrazol-1-yl)ethyl)-1-(1H-...)
Show SMILES COC[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636615
PNG
((R)-5-(2-methoxy-1-(1H- pyrazol-1-yl)ethyl)-1-(1H-...)
Show SMILES COC[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636618
PNG
((S)-5-(1,2-dimethoxyethyl)-1- (1H-pyrazol-4-yl)-4,...)
Show SMILES COC[C@@H](OC)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636619
PNG
((S)-5-(1,2-dimethoxyethyl)-1- (1H-pyrazol-4-yl)-4,...)
Show SMILES COC[C@H](OC)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636620
PNG
(5-((2-oxopyrrolidin-1- yl)methyl)-1-(1H-pyrazol-4-...)
Show SMILES O=C1CCCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636604
PNG
(7-[(3,3-difluoropyrrolidin-1- yl)methyl]-2-(1H-pyr...)
Show SMILES FC1(F)CCN(Cc2[nH]c(=O)c3sc(-c4cn[nH]c4)c4OCCCc2c34)C1
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636622
PNG
(10,10-difluoro-7-methyl-2- (1H-pyrazol-4-yl)-12-ox...)
Show SMILES Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCC(F)(F)Cc1c23
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636623
PNG
(7-(azetidin-1-ylmethyl)- 10,10-difluoro-2-(1H-pyra...)
Show SMILES FC1(F)COc2c(sc3c2c(C1)c(CN1CCC1)[nH]c3=O)-c1cn[nH]c1
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636624
PNG
(10,10-difluoro-7-(1-hydroxy- 1-methyl-ethyl)-2-(1H...)
Show SMILES CC(C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCC(F)(F)Cc1c23
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50506361
PNG
(CHEMBL4572218)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@H]1CC2CCN1CC2 |r,wU:16.18,(31.13,-24.46,;30.64,-23,;29.17,-22.53,;29.17,-20.98,;30.63,-20.5,;31.55,-21.74,;33.09,-21.72,;34,-22.97,;35.46,-22.48,;36.8,-23.25,;38.13,-22.48,;38.13,-20.94,;36.8,-20.16,;36.8,-18.62,;35.45,-20.94,;33.98,-20.47,;39.45,-23.25,;40.78,-22.49,;42.11,-23.26,;42.11,-24.8,;40.77,-25.56,;39.45,-24.79,;40.95,-24.54,;40.79,-23.43,)|
Show InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...


J Med Chem 63: 1084-1104 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01427
BindingDB Entry DOI: 10.7270/Q29G5R3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50450841
PNG
(CHEMBL4214023)
Show SMILES CN1c2cc(sc2C(=O)NC1(C)CC(F)(F)F)-c1c[nH]nc1C
Show InChI InChI=1S/C14H15F3N4OS/c1-7-8(5-18-20-7)10-4-9-11(23-10)12(22)19-13(2,21(9)3)6-14(15,16)17/h4-5H,6H2,1-3H3,(H,18,20)(H,19,22)
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Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged DBF4 (1 to 674 residues) expressed in baculovirus expression sys...


Bioorg Med Chem 25: 2133-2147 (2017)


Article DOI: 10.1016/j.bmc.2017.02.021
BindingDB Entry DOI: 10.7270/Q29P3477
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50380229
PNG
(CHEMBL2016996)
Show SMILES O=C1NCC2(CCCCC2)c2sc(cc12)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C17H17N5OS/c23-16-10-6-11(12-13-15(21-8-19-12)22-9-20-13)24-14(10)17(7-18-16)4-2-1-3-5-17/h6,8-9H,1-5,7H2,(H,18,23)(H,19,20,21,22)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC7/DBF4 using MCM-2 as substrate after 1 hr


ACS Med Chem Lett 2: 720-723 (2011)


Article DOI: 10.1021/ml200029w
BindingDB Entry DOI: 10.7270/Q2SQ91CR
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50380230
PNG
(CHEMBL2016862)
Show SMILES O=C1NCC2(CCCCC2)c2sc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C15H17N3OS/c19-14-11-6-12(10-7-17-18-8-10)20-13(11)15(9-16-14)4-2-1-3-5-15/h6-8H,1-5,9H2,(H,16,19)(H,17,18)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC7/DBF4 using MCM-2 as substrate after 1 hr


ACS Med Chem Lett 2: 720-723 (2011)


Article DOI: 10.1021/ml200029w
BindingDB Entry DOI: 10.7270/Q2SQ91CR
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50380236
PNG
(CHEMBL2016856)
Show SMILES O=C1CCC2(CCCCC2)c2sc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H18N2OS/c19-13-4-7-16(5-2-1-3-6-16)15-12(13)8-14(20-15)11-9-17-18-10-11/h8-10H,1-7H2,(H,17,18)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC7/DBF4 using MCM-2 as substrate after 1 hr


ACS Med Chem Lett 2: 720-723 (2011)


Article DOI: 10.1021/ml200029w
BindingDB Entry DOI: 10.7270/Q2SQ91CR
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM123147
PNG
(US8742113, 239)
Show SMILES O=C1CC(OC1=Cc1c[nH]c2ncccc12)=Nc1ccc2[nH]ncc2c1 |w:6.7,16.19|
Show InChI InChI=1S/C19H13N5O2/c25-16-8-18(23-13-3-4-15-12(6-13)10-22-24-15)26-17(16)7-11-9-21-19-14(11)2-1-5-20-19/h1-7,9-10H,8H2,(H,20,21)(H,22,24)/b17-7-,23-18+
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n/an/a 1n/an/an/an/a7.5n/a



SBI Biotech Co., Ltd.; Carna Biosciences, Inc.

US Patent


Assay Description
Measurement of kinase activity was carried out using an MSA assay kit (QuickScout Screening Assist Kit, Carna Biosciences, Inc.). Assay buffer (20 mM...


US Patent US8742113 (2014)


BindingDB Entry DOI: 10.7270/Q2B856S5
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM123148
PNG
(US8742113, 242)
Show SMILES Cc1ccsc1CN=C1CC(=O)C(O1)=Cc1c[nH]c2ncccc12 |w:14.16,7.7|
Show InChI InChI=1S/C18H15N3O2S/c1-11-4-6-24-16(11)10-20-17-8-14(22)15(23-17)7-12-9-21-18-13(12)3-2-5-19-18/h2-7,9H,8,10H2,1H3,(H,19,21)/b15-7-,20-17-
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SBI Biotech Co., Ltd.; Carna Biosciences, Inc.

US Patent


Assay Description
Measurement of kinase activity was carried out using an MSA assay kit (QuickScout Screening Assist Kit, Carna Biosciences, Inc.). Assay buffer (20 mM...


US Patent US8742113 (2014)


BindingDB Entry DOI: 10.7270/Q2B856S5
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636625
PNG
((R)-2-(1H-pyrazol-4-yl)-7-(1- pyrazol-1-ylethyl)-1...)
Show SMILES C[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636626
PNG
((S)-2-(1H-pyrazol-4-yl)-7-(1- pyrazol-1-ylethyl)-1...)
Show SMILES C[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636627
PNG
(2-(1H-pyrazol-4-yl)-7-[1- (triazol-2-yl)ethyl]-12-...)
Show SMILES CC(c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1nccn1
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636628
PNG
((R)-5-(-(1H-1,2,3-triazol-1- yl)ethyl)-1-(1H-pyraz...)
Show SMILES C[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1ccnn1 |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636629
PNG
((S)-5-(1-(1H-1,2,3-triazol-1- yl)ethyl)-1-(1H-pyra...)
Show SMILES C[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1ccnn1 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636633
PNG
(7-amino-2-(1H-pyrazol-4-yl)- 12-oxa-3-thia-6- azat...)
Show SMILES Nc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636634
PNG
(5-(cyclobutoxymethyl)-1-(1H- pyrazol-4-yl)-4,6,7,8...)
Show SMILES O=c1[nH]c(COC2CCC2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636635
PNG
(N-methyl-N-(3-oxo-1-(1H- pyrazol-4-yl)-4,6,7,8-tet...)
Show SMILES CN(C(C)=O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636636
PNG
((S)-5-(2-hydroxybutan-2-yl)- 1-(1H-pyrazol-4-yl)-4...)
Show SMILES CC[C@](C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636637
PNG
((R)-5-(2-hydroxybutan-2-yl)- 1-(1H-pyrazol-4-yl)-4...)
Show SMILES CC[C@@](C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636638
PNG
((S)-5-(1-cyclopropyl-1- hydroxyethyl)-1-(1H-pyrazo...)
Show SMILES C[C@](O)(C1CC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636639
PNG
((R)-5-(1-cyclopropyl-1- hydroxyethyl)-1-(1H-pyrazo...)
Show SMILES C[C@@](O)(C1CC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636640
PNG
((S)-6-(2-hydroxypropan-2-yl)- 4-methyl-2-(1H-pyraz...)
Show SMILES C[C@H]1Cc2c([nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23)C(C)(C)O |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636641
PNG
((R)-6-(2-hydroxypropan-2-yl)- 4-methyl-2-(1H-pyraz...)
Show SMILES C[C@@H]1Cc2c([nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23)C(C)(C)O |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636642
PNG
((S)-6-(azetidin-1-ylmethyl)-4- methyl-2-(1H-pyrazo...)
Show SMILES C[C@H]1Cc2c(CN3CCC3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636643
PNG
((R)-6-(azetidin-1-ylmethyl)-4- methyl-2-(1H-pyrazo...)
Show SMILES C[C@@H]1Cc2c(CN3CCC3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636644
PNG
((R)-6-((3,3-difluoropyrrolidin- 1-yl)methyl)-4-met...)
Show SMILES C[C@@H]1Cc2c(CN3CCC(F)(F)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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