Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50038468 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 |
|---|
Aurora kinase A
(Mus musculus (mouse)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
MMDB
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant Aurora A kinase expressed in insect Sf9 cells by radioactive flashplate assay |
Proc Natl Acad Sci USA 104: 4106-11 (2007)
Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A Thr288 autophosphorylation in human HeLa cells after 1 hr |
Proc Natl Acad Sci USA 104: 4106-11 (2007)
Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase B
(Mus musculus) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
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CHEMBL
MCE
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse recombinant Aurora B kinase expressed in insect Sf9 cells by radioactive flashplate assay |
Proc Natl Acad Sci USA 104: 4106-11 (2007)
Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
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CHEMBL
MCE
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| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of LCK by radioactive flashplate assay |
Proc Natl Acad Sci USA 104: 4106-11 (2007)
Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
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| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B Ser10 phosphorylation in human HeLa cells after 1 hr |
Proc Natl Acad Sci USA 104: 4106-11 (2007)
Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
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CHEMBL
MCE
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PC cid
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| Article
PubMed
| n/a | n/a | 2.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CK2 by radioactive flashplate assay |
Proc Natl Acad Sci USA 104: 4106-11 (2007)
Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
MMDB
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CHEMBL
MCE
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| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CHK2 by radioactive flashplate assay |
Proc Natl Acad Sci USA 104: 4106-11 (2007)
Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
MMDB
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
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Similars
| Article
PubMed
| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK1 by radioactive flashplate assay |
Proc Natl Acad Sci USA 104: 4106-11 (2007)
Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
MMDB
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CHEMBL
MCE
MMDB
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 by radioactive flashplate assay |
Proc Natl Acad Sci USA 104: 4106-11 (2007)
Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
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CHEMBL
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK1 by radioactive flashplate assay |
Proc Natl Acad Sci USA 104: 4106-11 (2007)
Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS |
More data for this
Ligand-Target Pair | |
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