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Compile Data Set for Download or QSAR

Found 312 hits with Last Name = 'kurasawa' and Initial = 'o'   
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
Serine palmitoyltransferase 2


(Homo sapiens (Human))		BDBM50461646
PNG
(CHEBI:582124 | Myriocin)
Show SMILES CCCCCCC(=O)CCCCCC\C=C\C[C@@H](O)[C@H](O)[C@@](N)(CO)C(O)=O |r|
Show InChI InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...

Bioorg Med Chem 26: 2452-2465 (2018)


Article DOI: 10.1016/j.bmc.2018.04.008
BindingDB Entry DOI: 10.7270/Q2RF5XNH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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))		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))		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
Serine palmitoyltransferase 2


(Homo sapiens (Human))		BDBM50461644
PNG
(CHEMBL4228416)
Show SMILES COc1ccc(cc1OC)C(=O)N1CC[C@@H](NC(=O)c2ccccc2Cl)[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)/t21-,23-/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...

Bioorg Med Chem 26: 2452-2465 (2018)


Article DOI: 10.1016/j.bmc.2018.04.008
BindingDB Entry DOI: 10.7270/Q2RF5XNH
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
Serine palmitoyltransferase 2


(Homo sapiens (Human))		BDBM50461649
PNG
(CHEMBL4225519)
Show SMILES COc1cc(cnc1OC)C(=O)N1CC[C@H](NC(=O)c2ccccc2OC(F)(F)F)c2c1cnn2C(C)C |r|
Show InChI InChI=1S/C25H26F3N5O5/c1-14(2)33-21-17(31-22(34)16-7-5-6-8-19(16)38-25(26,27)28)9-10-32(18(21)13-30-33)24(35)15-11-20(36-3)23(37-4)29-12-15/h5-8,11-14,17H,9-10H2,1-4H3,(H,31,34)/t17-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...

Bioorg Med Chem 26: 2452-2465 (2018)


Article DOI: 10.1016/j.bmc.2018.04.008
BindingDB Entry DOI: 10.7270/Q2RF5XNH
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))		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))		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))		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))		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
Serine palmitoyltransferase 2


(Homo sapiens (Human))		BDBM50461645
PNG
(CHEMBL4228472)
Show SMILES Cn1nc(cc1C(=O)N[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(Cl)c2nccnc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H22ClF3N6O2/c1-35-21(13-22(34-35)26(28,29)30)24(37)33-19-7-10-36(14-17(19)15-5-3-2-4-6-15)25(38)16-11-18(27)23-20(12-16)31-8-9-32-23/h2-6,8-9,11-13,17,19H,7,10,14H2,1H3,(H,33,37)/t17-,19-/m1/s1
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n/an/a 0.710n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...

Bioorg Med Chem 26: 2452-2465 (2018)


Article DOI: 10.1016/j.bmc.2018.04.008
BindingDB Entry DOI: 10.7270/Q2RF5XNH
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))		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/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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n/an/a 1n/an/an/an/an/an/a



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))		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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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))		BDBM50253676
PNG
(CHEMBL4087760)
Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CC[C@H](F)C3)[nH]c(=O)c2s1 |r|
Show InChI InChI=1S/C15H16FN5OS/c1-8-10(5-17-20-8)12-4-11-14(23-12)15(22)19-13(18-11)7-21-3-2-9(16)6-21/h4-5,9H,2-3,6-7H2,1H3,(H,17,20)(H,18,19,22)/t9-/m0/s1
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n/an/a 1.10n/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))		BDBM50253759
PNG
(CHEMBL4078941)
Show SMILES Cl.Cl.C[C@H]1CCCN1Cc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r|
Show InChI InChI=1S/C16H19N5OS.2ClH/c1-9-4-3-5-21(9)8-14-18-12-6-13(11-7-17-20-10(11)2)23-15(12)16(22)19-14;;/h6-7,9H,3-5,8H2,1-2H3,(H,17,20)(H,18,19,22);2*1H/t9-;;/m0../s1
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n/an/a 1.20n/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))		BDBM50450842
PNG
(CHEMBL4213805)
Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(40.37,-51.96,;39.89,-50.5,;38.42,-50.02,;38.42,-48.48,;39.89,-48.01,;40.79,-49.25,;42.33,-49.24,;43.25,-50.5,;44.72,-50.02,;46.04,-50.78,;47.37,-50.02,;47.36,-51.56,;48.68,-52.33,;50.02,-51.57,;51.56,-51.57,;50.03,-50.03,;48.7,-49.25,;50.79,-52.9,;50.02,-54.23,;50.79,-55.57,;52.33,-55.57,;53.1,-56.89,;53.1,-54.22,;52.33,-52.9,;47.37,-48.48,;46.04,-47.7,;46.05,-46.16,;44.72,-48.47,;43.25,-48,)|
Show InChI InChI=1S/C21H21FN4O2S/c1-12-15(11-23-26-12)17-10-16-18(29-17)19(27)25-21(24-16)8-6-20(28,7-9-21)13-2-4-14(22)5-3-13/h2-5,10-11,24,28H,6-9H2,1H3,(H,23,26)(H,25,27)/t20-,21+
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n/an/a 1.20n/an/an/an/an/an/a



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
Serine palmitoyltransferase 2


(Homo sapiens (Human))		BDBM50461647
PNG
(CHEMBL4225462)
Show SMILES COc1cc(cnc1OC)C(=O)N1CCC(NC(=O)c2ccccc2OC(F)(F)F)c2c1cnn2C(C)C
Show InChI InChI=1S/C25H26F3N5O5/c1-14(2)33-21-17(31-22(34)16-7-5-6-8-19(16)38-25(26,27)28)9-10-32(18(21)13-30-33)24(35)15-11-20(36-3)23(37-4)29-12-15/h5-8,11-14,17H,9-10H2,1-4H3,(H,31,34)
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...

Bioorg Med Chem 26: 2452-2465 (2018)


Article DOI: 10.1016/j.bmc.2018.04.008
BindingDB Entry DOI: 10.7270/Q2RF5XNH
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))		BDBM50506354
PNG
(CHEMBL4529213)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCCCN1 |r|
Show InChI InChI=1S/C16H19N5OS/c1-9-10(8-18-21-9)13-7-12-14(23-13)16(22)20-15(19-12)11-5-3-2-4-6-17-11/h7-8,11,17H,2-6H2,1H3,(H,18,21)(H,19,20,22)/t11-/m0/s1
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n/an/a 1.20n/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
Serine palmitoyltransferase 2


(Homo sapiens (Human))		BDBM50461643
PNG
(CHEMBL4225764)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCC(NC(=O)c2ccccc2Cl)C(C1)c1ccccc1
Show InChI InChI=1S/C27H27ClN2O4/c1-33-24-13-12-19(16-25(24)34-2)27(32)30-15-14-23(21(17-30)18-8-4-3-5-9-18)29-26(31)20-10-6-7-11-22(20)28/h3-13,16,21,23H,14-15,17H2,1-2H3,(H,29,31)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substra...

Bioorg Med Chem 26: 2452-2465 (2018)


Article DOI: 10.1016/j.bmc.2018.04.008
BindingDB Entry DOI: 10.7270/Q2RF5XNH
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))		BDBM50506360
PNG
(CHEMBL4462574)
Show SMILES Cl.Cl.C[C@@H]1CN[C@@H](C1)c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-7-3-11(16-5-7)14-18-10-4-12(9-6-17-20-8(9)2)22-13(10)15(21)19-14;;/h4,6-7,11,16H,3,5H2,1-2H3,(H,17,20)(H,18,19,21);2*1H/t7-,11-;;/m0../s1
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n/an/a 1.30n/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))		BDBM50253708
PNG
(CHEMBL4070822)
Show SMILES Cl.Cl.CNCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Show InChI InChI=1S/C12H13N5OS/c1-6-7(4-14-17-6)9-3-8-11(19-9)12(18)16-10(15-8)5-13-2/h3-4,13H,5H2,1-2H3,(H,14,17)(H,15,16,18)
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n/an/a 1.40n/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))		BDBM50253702
PNG
(CHEMBL4080673)
Show SMILES Cc1n[nH]cc1-c1cc2nc(CC3CCCC3)[nH]c(=O)c2s1
Show InChI InChI=1S/C16H18N4OS/c1-9-11(8-17-20-9)13-7-12-15(22-13)16(21)19-14(18-12)6-10-4-2-3-5-10/h7-8,10H,2-6H2,1H3,(H,17,20)(H,18,19,21)
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n/an/a 1.5n/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))		BDBM50450844
PNG
(CHEMBL4216005)
Show SMILES Cc1n[nH]cc1-c1cc2NC3(CCCCC3)NC(=O)c2s1
Show InChI InChI=1S/C15H18N4OS/c1-9-10(8-16-19-9)12-7-11-13(21-12)14(20)18-15(17-11)5-3-2-4-6-15/h7-8,17H,2-6H2,1H3,(H,16,19)(H,18,20)
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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
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50450838
PNG
(CHEMBL4204752)
Show SMILES CC1(C)Nc2cc(sc2C(=O)N1Cc1ccccc1)-c1ccncc1
Show InChI InChI=1S/C20H19N3OS/c1-20(2)22-16-12-17(15-8-10-21-11-9-15)25-18(16)19(24)23(20)13-14-6-4-3-5-7-14/h3-12,22H,13H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged ROCK1 (1 to 477 residues) expressed in baculovirus expression system using biotin-STK substrate...

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))		BDBM50253753
PNG
(CHEMBL4062209)
Show SMILES Cl.Cl.CN(C)Cc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Show InChI InChI=1S/C13H15N5OS/c1-7-8(5-14-17-7)10-4-9-12(20-10)13(19)16-11(15-9)6-18(2)3/h4-5H,6H2,1-3H3,(H,14,17)(H,15,16,19)
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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))		BDBM50253677
PNG
(CHEMBL4095460)
Show SMILES C[C@H]1CCN(Cc2nc3cc(sc3c(=O)[nH]2)-c2c[nH]nc2C)C1 |r|
Show InChI InChI=1S/C16H19N5OS/c1-9-3-4-21(7-9)8-14-18-12-5-13(11-6-17-20-10(11)2)23-15(12)16(22)19-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19,22)/t9-/m0/s1
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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 1.70n/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))		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 1.70n/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))		BDBM50506349
PNG
(CHEMBL4589689)
Show SMILES Cl.Cl.CN1CCC[C@H]1c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C |r|
Show InChI InChI=1S/C15H17N5OS.2ClH/c1-8-9(7-16-19-8)12-6-10-13(22-12)15(21)18-14(17-10)11-4-3-5-20(11)2;;/h6-7,11H,3-5H2,1-2H3,(H,16,19)(H,17,18,21);2*1H/t11-;;/m0../s1
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n/an/a 1.90n/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))		BDBM50506357
PNG
(CHEMBL4561384)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCC(C)(C)N1 |r|
Show InChI InChI=1S/C16H19N5OS/c1-8-9(7-17-21-8)12-6-11-13(23-12)15(22)19-14(18-11)10-4-5-16(2,3)20-10/h6-7,10,20H,4-5H2,1-3H3,(H,17,21)(H,18,19,22)/t10-/m0/s1
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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))		BDBM50450845
PNG
(CHEMBL4209416)
Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)C3CCCCC3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(72.5,-50.69,;72.02,-49.23,;70.56,-48.75,;70.56,-47.21,;72.02,-46.74,;72.93,-47.98,;74.47,-47.98,;75.38,-49.23,;76.85,-48.75,;78.18,-49.51,;79.5,-48.75,;79.5,-50.29,;80.82,-51.06,;82.16,-50.3,;83.7,-50.3,;82.16,-48.76,;80.83,-47.98,;82.93,-51.63,;82.15,-52.96,;82.92,-54.29,;84.46,-54.3,;85.23,-52.97,;84.47,-51.62,;79.51,-47.21,;78.18,-46.43,;78.18,-44.89,;76.85,-47.2,;75.38,-46.72,)|
Show InChI InChI=1S/C21H28N4O2S/c1-13-15(12-22-25-13)17-11-16-18(28-17)19(26)24-21(23-16)9-7-20(27,8-10-21)14-5-3-2-4-6-14/h11-12,14,23,27H,2-10H2,1H3,(H,22,25)(H,24,26)/t20-,21+
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n/an/a 2n/an/an/an/an/an/a



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))		BDBM50506352
PNG
(CHEMBL4457256)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C13H13N5OS/c1-6-7(5-15-18-6)10-4-9-11(20-10)13(19)17-12(16-9)8-2-3-14-8/h4-5,8,14H,2-3H2,1H3,(H,15,18)(H,16,17,19)/t8-/m0/s1
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n/an/a 2.10n/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))		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 2.10n/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))		BDBM50253753
PNG
(CHEMBL4062209)
Show SMILES Cl.Cl.CN(C)Cc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Show InChI InChI=1S/C13H15N5OS/c1-7-8(5-14-17-7)10-4-9-12(20-10)13(19)16-11(15-9)6-18(2)3/h4-5H,6H2,1-3H3,(H,14,17)(H,15,16,19)
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n/an/a 2.20n/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))		BDBM50253703
PNG
(CHEMBL4078031)
Show SMILES Cc1n[nH]cc1-c1cc2nc(CN3CCCCC3)[nH]c(=O)c2s1
Show InChI InChI=1S/C16H19N5OS/c1-10-11(8-17-20-10)13-7-12-15(23-13)16(22)19-14(18-12)9-21-5-3-2-4-6-21/h7-8H,2-6,9H2,1H3,(H,17,20)(H,18,19,22)
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n/an/a 2.40n/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))		BDBM50253674
PNG
(CHEMBL4084945)
Show SMILES Cl.Cl.CCc1n[nH]cc1-c1cc2nc(CN3CCCC3)[nH]c(=O)c2s1
Show InChI InChI=1S/C16H19N5OS/c1-2-11-10(8-17-20-11)13-7-12-15(23-13)16(22)19-14(18-12)9-21-5-3-4-6-21/h7-8H,2-6,9H2,1H3,(H,17,20)(H,18,19,22)
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n/an/a 2.5n/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))		BDBM50450846
PNG
(CHEMBL4202743)
Show SMILES CC1(CC(F)(F)F)Nc2cc(sc2C(=O)N1)-c1ccncc1
Show InChI InChI=1S/C14H12F3N3OS/c1-13(7-14(15,16)17)19-9-6-10(8-2-4-18-5-3-8)22-11(9)12(21)20-13/h2-6,19H,7H2,1H3,(H,20,21)
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n/an/a 2.70n/an/an/an/an/an/a



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))		BDBM50253672
PNG
(CHEMBL4091279)
Show SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)C1CCCCC1
Show InChI InChI=1S/C16H18N4OS/c1-9-11(8-17-20-9)13-7-12-14(22-13)16(21)19-15(18-12)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,17,20)(H,18,19,21)
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n/an/a 2.70n/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))		BDBM50253698
PNG
(CHEMBL4068071)
Show SMILES C[C@@H]1CCN(Cc2nc3cc(sc3c(=O)[nH]2)-c2c[nH]nc2C)C1 |r|
Show InChI InChI=1S/C16H19N5OS/c1-9-3-4-21(7-9)8-14-18-12-5-13(11-6-17-20-10(11)2)23-15(12)16(22)19-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,19,22)/t9-/m1/s1
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n/an/a 2.70n/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))		BDBM50253668
PNG
(CHEMBL4086790)
Show SMILES CC(N1CCCC1)c1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C
Show InChI InChI=1S/C16H19N5OS/c1-9-11(8-17-20-9)13-7-12-14(23-13)16(22)19-15(18-12)10(2)21-5-3-4-6-21/h7-8,10H,3-6H2,1-2H3,(H,17,20)(H,18,19,22)
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n/an/a 2.70n/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))		BDBM50450857
PNG
(CHEMBL4209096)
Show SMILES CN1c2cc(sc2C(=O)NC1(C)C)-c1c[nH]nc1C
Show InChI InChI=1S/C13H16N4OS/c1-7-8(6-14-16-7)10-5-9-11(19-10)12(18)15-13(2,3)17(9)4/h5-6H,1-4H3,(H,14,16)(H,15,18)
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n/an/a 2.90n/an/an/an/an/an/a



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))		BDBM50450861
PNG
(CHEMBL4207094)
Show SMILES O=C1NC2(CCCCC2)Nc2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C16H17N3OS/c20-15-14-12(18-16(19-15)6-2-1-3-7-16)10-13(21-14)11-4-8-17-9-5-11/h4-5,8-10,18H,1-3,6-7H2,(H,19,20)
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n/an/a 3n/an/an/an/an/an/a



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))		BDBM50450860
PNG
(CHEMBL4216947)
Show SMILES O=C1NC2(CCCCCC2)Nc2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C17H19N3OS/c21-16-15-13(11-14(22-15)12-5-9-18-10-6-12)19-17(20-16)7-3-1-2-4-8-17/h5-6,9-11,19H,1-4,7-8H2,(H,20,21)
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n/an/a 3.60n/an/an/an/an/an/a



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
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