Found 620 hits with Last Name = 'uchiyama' and Initial = 'n' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50506348
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/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/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232582
(CHEMBL4067710)Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(CC)CC3)ncc2-n2cnc(C#N)c12 |r| Show InChI InChI=1S/C29H36FN9O2/c1-6-23-26-22(14-31)33-16-38(26)24-15-32-29(36-27(24)39(23)17(3)4)35-21-13-20(30)19(12-25(21)41-5)28(40)34-18-8-10-37(7-2)11-9-18/h12-13,15-18,23H,6-11H2,1-5H3,(H,34,40)(H,32,35,36)/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50506351
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/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 | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50258896
(CHEMBL4060569 | US11419874, TAK-915)Show SMILES COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(OC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
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MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 7677-7702 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50253706
(CHEMBL4083927)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4083927)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50506361
(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 | PDB
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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 | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435724
(CHEMBL2392548)Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C26H33F2N7O2/c1-33-13-11-19(12-14-33)30-23(36)17-7-9-18(10-8-17)31-25-29-15-21-22(32-25)35(20-5-3-4-6-20)16-26(27,28)24(37)34(21)2/h7-10,15,19-20H,3-6,11-14,16H2,1-2H3,(H,30,36)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435723
(CHEMBL2392549)Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1 Show InChI InChI=1S/C27H34ClF2N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM107767
(US11419874, PF-05180999 | US8598155, 2)Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1 Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 7677-7702 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435732
(CHEMBL2392556)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC=C)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C30H41N7O3/c1-5-8-21-19-37(23-9-6-7-10-23)27-25(36(3)29(21)39)18-31-30(34-27)33-24-12-11-20(17-26(24)40-4)28(38)32-22-13-15-35(2)16-14-22/h5,11-12,17-18,21-23H,1,6-10,13-16,19H2,2-4H3,(H,32,38)(H,31,33,34)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50253676
(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 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50506354
(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 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50253759
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50506360
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/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/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232580
(CHEMBL4078098)Show SMILES CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r| Show InChI InChI=1S/C31H38FN9O2/c1-4-25-28-24(16-33)35-18-40(28)26-17-34-31(38-29(26)41(25)20-8-6-5-7-9-20)37-23-15-22(32)21(14-27(23)43-3)30(42)36-19-10-12-39(2)13-11-19/h14-15,17-20,25H,4-13H2,1-3H3,(H,36,42)(H,34,37,38)/t25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50253708
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232588
(CHEMBL4094634)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C(O)=O)c12 |r| Show InChI InChI=1S/C30H38N8O4/c1-4-22-26-25(29(40)41)32-17-37(26)23-16-31-30(35-27(23)38(22)20-7-5-6-8-20)34-21-10-9-18(15-24(21)42-3)28(39)33-19-11-13-36(2)14-12-19/h9-10,15-17,19-20,22H,4-8,11-14H2,1-3H3,(H,33,39)(H,40,41)(H,31,34,35)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232583
(CHEMBL4074778)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r| Show InChI InChI=1S/C30H37N9O2/c1-4-24-27-23(16-31)33-18-38(27)25-17-32-30(36-28(25)39(24)21-7-5-6-8-21)35-22-10-9-19(15-26(22)41-3)29(40)34-20-11-13-37(2)14-12-20/h9-10,15,17-18,20-21,24H,4-8,11-14H2,1-3H3,(H,34,40)(H,32,35,36)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50253702
(CHEMBL4080673)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50253753
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50258930
(CHEMBL4102321)Show SMILES COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C19H19F3N4O5/c1-29-10-15(11-3-5-12(6-4-11)31-19(20,21)22)25-18(28)26-9-16(27)24-14-7-13(30-2)8-23-17(14)26/h3-8,15H,9-10H2,1-2H3,(H,24,27)(H,25,28)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay |
J Med Chem 60: 7677-7702 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50253677
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232592
(CHEMBL4088932)Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CN(C)C3)ncc2-n2cnc(C#N)c12 |r| Show InChI InChI=1S/C26H30FN9O2/c1-6-20-23-19(9-28)30-13-35(23)21-10-29-26(33-24(21)36(20)14(2)3)32-18-8-17(27)16(7-22(18)38-5)25(37)31-15-11-34(4)12-15/h7-8,10,13-15,20H,6,11-12H2,1-5H3,(H,31,37)(H,29,32,33)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50253706
(CHEMBL4083927)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4083927)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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/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/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232579
(CHEMBL4103908)Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r| Show InChI InChI=1S/C28H34FN9O2/c1-6-22-25-21(13-30)32-15-37(25)23-14-31-28(35-26(23)38(22)16(2)3)34-20-12-19(29)18(11-24(20)40-5)27(39)33-17-7-9-36(4)10-8-17/h11-12,14-17,22H,6-10H2,1-5H3,(H,33,39)(H,31,34,35)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50506357
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/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/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435727
(CHEMBL2392545)Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1 Show InChI InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50435734
(CHEMBL2392554)Show SMILES CC[C@@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C29H40FN7O3/c1-5-29(30)18-37(21-8-6-7-9-21)25-23(36(3)27(29)39)17-31-28(34-25)33-22-11-10-19(16-24(22)40-4)26(38)32-20-12-14-35(2)15-13-20/h10-11,16-17,20-21H,5-9,12-15,18H2,1-4H3,(H,32,38)(H,31,33,34)/t29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 23: 3662-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232585
(CHEMBL4063398)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C(N)=O)c12 |r| Show InChI InChI=1S/C30H39N9O3/c1-4-22-26-25(27(31)40)33-17-38(26)23-16-32-30(36-28(23)39(22)20-7-5-6-8-20)35-21-10-9-18(15-24(21)42-3)29(41)34-19-11-13-37(2)14-12-19/h9-10,15-17,19-20,22H,4-8,11-14H2,1-3H3,(H2,31,40)(H,34,41)(H,32,35,36)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50506348
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50506352
(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 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/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/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232584
(CHEMBL4074112)Show SMILES CCOC(=O)c1ncn-2c1[C@@H](CC)N(C1CCCC1)c1nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc-21 |r| Show InChI InChI=1S/C32H42N8O4/c1-5-24-28-27(31(42)44-6-2)34-19-39(28)25-18-33-32(37-29(25)40(24)22-9-7-8-10-22)36-23-12-11-20(17-26(23)43-4)30(41)35-21-13-15-38(3)16-14-21/h11-12,17-19,21-22,24H,5-10,13-16H2,1-4H3,(H,35,41)(H,33,36,37)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232590
(CHEMBL4101459)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(CO)c12 |r| Show InChI InChI=1S/C30H40N8O3/c1-4-24-27-23(17-39)32-18-37(27)25-16-31-30(35-28(25)38(24)21-7-5-6-8-21)34-22-10-9-19(15-26(22)41-3)29(40)33-20-11-13-36(2)14-12-20/h9-10,15-16,18,20-21,24,39H,4-8,11-14,17H2,1-3H3,(H,33,40)(H,31,34,35)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50232578
(CHEMBL4066163)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r| Show InChI InChI=1S/C30H36FN9O2/c1-4-24-27-23(15-32)34-17-39(27)25-16-33-30(37-28(25)40(24)19-7-5-6-8-19)36-22-14-21(31)20(13-26(22)42-3)29(41)35-18-9-11-38(2)12-10-18/h13-14,16-19,24H,4-12H2,1-3H3,(H,35,41)(H,33,36,37)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay |
Bioorg Med Chem Lett 27: 1311-1315 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50253753
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM31587
(oxadiazole derivative, 20x)Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1 Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Takeda Pharmaceutical Company Ltd.
| Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96... |
Bioorg Med Chem 17: 2017-29 (2009)
Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ |
More data for this
Ligand-Target Pair | |
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A
(Homo sapiens (Human)) | BDBM50253703
(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) | PDB
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| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/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 |
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Ligand-Target Pair | |
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