Found 59 hits with Last Name = 'tan' and Initial = 'uk' 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
(Homo sapiens (Human)) | BDBM13534
![PNG](/data/jpeg/tenK1/BindingDB_13534.png) (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MMDB PC cid PC sid PDB UniChem
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Similars
| PDB Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora A kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM13534
![PNG](/data/jpeg/tenK1/BindingDB_13534.png) (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora B kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Aurora kinase C
(Homo sapiens (Human)) | BDBM13534
![PNG](/data/jpeg/tenK1/BindingDB_13534.png) (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora C kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12985
![PNG](/data/jpeg/tenK1/BindingDB_12985.png) (5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora A kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM12985
![PNG](/data/jpeg/tenK1/BindingDB_12985.png) (5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora C kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM12985
![PNG](/data/jpeg/tenK1/BindingDB_12985.png) (5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora B kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479526
![PNG](/data/jpeg/tenK5047/BindingDB_50479526.png) (CHEMBL515560)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2cccc(NC(C)=O)c2)cc1 Show InChI InChI=1S/C21H22N6O3/c1-13-19(21(29)24-17-6-4-5-16(11-17)23-14(2)28)20(27-25-13)26-22-12-15-7-9-18(30-3)10-8-15/h4-12H,1-3H3,(H,23,28)(H,24,29)(H2,25,26,27)/b22-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479524
![PNG](/data/jpeg/tenK5047/BindingDB_50479524.png) (CHEMBL474344)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2cccc(OC)c2)cc1 Show InChI InChI=1S/C20H21N5O3/c1-13-18(20(26)22-15-5-4-6-17(11-15)28-3)19(25-23-13)24-21-12-14-7-9-16(27-2)10-8-14/h4-12H,1-3H3,(H,22,26)(H2,23,24,25)/b21-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 449 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479510
![PNG](/data/jpeg/tenK5047/BindingDB_50479510.png) (CHEMBL515112)Show SMILES COc1ccc(NC(=O)c2c(C)n[nH]c2N\N=C\c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C20H21N5O3/c1-13-18(20(26)22-15-6-10-17(28-3)11-7-15)19(25-23-13)24-21-12-14-4-8-16(27-2)9-5-14/h4-12H,1-3H3,(H,22,26)(H2,23,24,25)/b21-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479520
![PNG](/data/jpeg/tenK5047/BindingDB_50479520.png) (CHEMBL473334)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 Show InChI InChI=1S/C21H22N6O3/c1-13-19(21(29)24-17-8-6-16(7-9-17)23-14(2)28)20(27-25-13)26-22-12-15-4-10-18(30-3)11-5-15/h4-12H,1-3H3,(H,23,28)(H,24,29)(H2,25,26,27)/b22-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 719 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479527
![PNG](/data/jpeg/tenK5047/BindingDB_50479527.png) (CHEMBL461954)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C19H19N5O2/c1-13-17(19(25)21-15-6-4-3-5-7-15)18(24-22-13)23-20-12-14-8-10-16(26-2)11-9-14/h3-12H,1-2H3,(H,21,25)(H2,22,23,24)/b20-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 804 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479521
![PNG](/data/jpeg/tenK5047/BindingDB_50479521.png) (CHEMBL461785)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCc2cccc(OC)c2)cc1 Show InChI InChI=1S/C21H23N5O3/c1-14-19(21(27)22-12-16-5-4-6-18(11-16)29-3)20(26-24-14)25-23-13-15-7-9-17(28-2)10-8-15/h4-11,13H,12H2,1-3H3,(H,22,27)(H2,24,25,26)/b23-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 838 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479522
![PNG](/data/jpeg/tenK5047/BindingDB_50479522.png) (CHEMBL473131)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(OC)c(OC)c2)cc1 Show InChI InChI=1S/C21H23N5O4/c1-13-19(21(27)23-15-7-10-17(29-3)18(11-15)30-4)20(26-24-13)25-22-12-14-5-8-16(28-2)9-6-14/h5-12H,1-4H3,(H,23,27)(H2,24,25,26)/b22-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479528
![PNG](/data/jpeg/tenK5047/BindingDB_50479528.png) (CHEMBL518032)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C23H24N6O2/c1-15-21(22(29-27-15)28-26-13-16-7-9-18(31-2)10-8-16)23(30)24-12-11-17-14-25-20-6-4-3-5-19(17)20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,30)(H2,27,28,29)/b26-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479511
![PNG](/data/jpeg/tenK5047/BindingDB_50479511.png) (CHEMBL474540)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccccc2OC)cc1 Show InChI InChI=1S/C20H21N5O3/c1-13-18(20(26)22-16-6-4-5-7-17(16)28-3)19(25-23-13)24-21-12-14-8-10-15(27-2)11-9-14/h4-12H,1-3H3,(H,22,26)(H2,23,24,25)/b21-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479517
![PNG](/data/jpeg/tenK5047/BindingDB_50479517.png) (CHEMBL461599)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C21H23N5O2/c1-15-19(21(27)22-13-12-16-6-4-3-5-7-16)20(26-24-15)25-23-14-17-8-10-18(28-2)11-9-17/h3-11,14H,12-13H2,1-2H3,(H,22,27)(H2,24,25,26)/b23-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479525
![PNG](/data/jpeg/tenK5047/BindingDB_50479525.png) (CHEMBL473333)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H18FN5O2/c1-12-17(19(26)22-15-7-5-14(20)6-8-15)18(25-23-12)24-21-11-13-3-9-16(27-2)10-4-13/h3-11H,1-2H3,(H,22,26)(H2,23,24,25)/b21-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479531
![PNG](/data/jpeg/tenK5047/BindingDB_50479531.png) (CHEMBL517573)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2cccnc2)cc1 Show InChI InChI=1S/C20H22N6O2/c1-14-18(20(27)22-11-9-15-4-3-10-21-12-15)19(26-24-14)25-23-13-16-5-7-17(28-2)8-6-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,27)(H2,24,25,26)/b23-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479512
![PNG](/data/jpeg/tenK5047/BindingDB_50479512.png) (CHEMBL516353)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)Nc2ccc(cc2)N(C)C)cc1 Show InChI InChI=1S/C21H24N6O2/c1-14-19(21(28)23-16-7-9-17(10-8-16)27(2)3)20(26-24-14)25-22-13-15-5-11-18(29-4)12-6-15/h5-13H,1-4H3,(H,23,28)(H2,24,25,26)/b22-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479529
![PNG](/data/jpeg/tenK5047/BindingDB_50479529.png) (CHEMBL514951)Show SMILES COc1ccc(CCNC(=O)c2c(C)n[nH]c2N\N=C\c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C22H25N5O3/c1-15-20(22(28)23-13-12-16-4-8-18(29-2)9-5-16)21(27-25-15)26-24-14-17-6-10-19(30-3)11-7-17/h4-11,14H,12-13H2,1-3H3,(H,23,28)(H2,25,26,27)/b24-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479516
![PNG](/data/jpeg/tenK5047/BindingDB_50479516.png) (CHEMBL460720)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C20H21N5O2/c1-14-18(20(26)21-12-15-6-4-3-5-7-15)19(25-23-14)24-22-13-16-8-10-17(27-2)11-9-16/h3-11,13H,12H2,1-2H3,(H,21,26)(H2,23,24,25)/b22-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479519
![PNG](/data/jpeg/tenK5047/BindingDB_50479519.png) (CHEMBL461784)Show SMILES COc1ccc(CNC(=O)c2c(C)n[nH]c2N\N=C\c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C21H23N5O3/c1-14-19(21(27)22-12-15-4-8-17(28-2)9-5-15)20(26-24-14)25-23-13-16-6-10-18(29-3)11-7-16/h4-11,13H,12H2,1-3H3,(H,22,27)(H2,24,25,26)/b23-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479513
![PNG](/data/jpeg/tenK5047/BindingDB_50479513.png) (CHEMBL460905)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCc2cccc(NC(C)=O)c2)cc1 Show InChI InChI=1S/C22H24N6O3/c1-14-20(22(30)23-12-17-5-4-6-18(11-17)25-15(2)29)21(28-26-14)27-24-13-16-7-9-19(31-3)10-8-16/h4-11,13H,12H2,1-3H3,(H,23,30)(H,25,29)(H2,26,27,28)/b24-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479533
![PNG](/data/jpeg/tenK5047/BindingDB_50479533.png) (CHEMBL460728)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C18H21N7O2/c1-12-16(18(26)20-8-7-14-10-19-11-21-14)17(25-23-12)24-22-9-13-3-5-15(27-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)(H,20,26)(H2,23,24,25)/b22-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479518
![PNG](/data/jpeg/tenK5047/BindingDB_50479518.png) (CHEMBL461972)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCCc2ccccc2)cc1 Show InChI InChI=1S/C22H25N5O2/c1-16-20(22(28)23-14-6-9-17-7-4-3-5-8-17)21(27-25-16)26-24-15-18-10-12-19(29-2)13-11-18/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,23,28)(H2,25,26,27)/b24-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479509
![PNG](/data/jpeg/tenK5047/BindingDB_50479509.png) (CHEMBL473948)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)NCCc2cccc(OC)c2)cc1 Show InChI InChI=1S/C22H25N5O3/c1-15-20(22(28)23-12-11-16-5-4-6-19(13-16)30-3)21(27-25-15)26-24-14-17-7-9-18(29-2)10-8-17/h4-10,13-14H,11-12H2,1-3H3,(H,23,28)(H2,25,26,27)/b24-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479530
![PNG](/data/jpeg/tenK5047/BindingDB_50479530.png) (CHEMBL517571)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C20H20N4O3/c1-14-18(20(25)27-13-16-6-4-3-5-7-16)19(24-22-14)23-21-12-15-8-10-17(26-2)11-9-15/h3-12H,13H2,1-2H3,(H2,22,23,24)/b21-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50372019
![PNG](/data/jpeg/tenK5037/BindingDB_50372019.png) (CHEMBL402349)Show SMILES COc1ccccc1CN1Cc2c(nc3cc([nH]n3c2=O)-c2ccco2)C1=O Show InChI InChI=1S/C20H16N4O4/c1-27-15-6-3-2-5-12(15)10-23-11-13-18(20(23)26)21-17-9-14(16-7-4-8-28-16)22-24(17)19(13)25/h2-9,22H,10-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora A kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50372021
![PNG](/data/jpeg/tenK5037/BindingDB_50372021.png) (CHEMBL271894)Show SMILES COc1ccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)cc1 Show InChI InChI=1S/C20H16N4O4/c1-27-13-6-4-12(5-7-13)10-23-11-14-18(20(23)26)21-17-9-15(16-3-2-8-28-16)22-24(17)19(14)25/h2-9,22H,10-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora A kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479514
![PNG](/data/jpeg/tenK5047/BindingDB_50479514.png) (CHEMBL454390)Show SMILES CCOC(=O)c1c(C)n[nH]c1N\N=C\c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C16H17N5O2/c1-3-23-16(22)14-10(2)19-21-15(14)20-18-9-11-4-5-13-12(8-11)6-7-17-13/h4-9,17H,3H2,1-2H3,(H2,19,20,21)/b18-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479515
![PNG](/data/jpeg/tenK5047/BindingDB_50479515.png) (CHEMBL455180)Show SMILES CCOC(=O)c1c(C)n[nH]c1N\N=C\c1cccc2[nH]ccc12 Show InChI InChI=1S/C16H17N5O2/c1-3-23-16(22)14-10(2)19-21-15(14)20-18-9-11-5-4-6-13-12(11)7-8-17-13/h4-9,17H,3H2,1-2H3,(H2,19,20,21)/b18-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50372017
![PNG](/data/jpeg/tenK5037/BindingDB_50372017.png) (CHEMBL1589017)Show SMILES Oc1c2CN(Cc3ccccc3)C(=O)c2nc2cc(nn12)-c1ccco1 Show InChI InChI=1S/C19H14N4O3/c24-18-13-11-22(10-12-5-2-1-3-6-12)19(25)17(13)20-16-9-14(21-23(16)18)15-7-4-8-26-15/h1-9,21H,10-11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora A kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479534
![PNG](/data/jpeg/tenK5047/BindingDB_50479534.png) (CHEMBL455177)Show InChI InChI=1S/C15H18N4O3/c1-4-22-15(20)13-10(2)17-19-14(13)18-16-9-11-5-7-12(21-3)8-6-11/h5-9H,4H2,1-3H3,(H2,17,18,19)/b16-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50372020
![PNG](/data/jpeg/tenK5037/BindingDB_50372020.png) (CHEMBL439417)Show SMILES COc1cccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)c1 Show InChI InChI=1S/C20H16N4O4/c1-27-13-5-2-4-12(8-13)10-23-11-14-18(20(23)26)21-17-9-15(16-6-3-7-28-16)22-24(17)19(14)25/h2-9,22H,10-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora A kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50372018
![PNG](/data/jpeg/tenK5037/BindingDB_50372018.png) (CHEMBL255808)Show SMILES CC(=O)Nc1cccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)c1 Show InChI InChI=1S/C21H17N5O4/c1-12(27)22-14-5-2-4-13(8-14)10-25-11-15-19(21(25)29)23-18-9-16(17-6-3-7-30-17)24-26(18)20(15)28/h2-9,24H,10-11H2,1H3,(H,22,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora A kinase |
Bioorg Med Chem Lett 18: 1623-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479532
![PNG](/data/jpeg/tenK5047/BindingDB_50479532.png) (CHEMBL451034)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)N(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C21H23N5O2/c1-15-19(21(27)26(2)14-17-7-5-4-6-8-17)20(25-23-15)24-22-13-16-9-11-18(28-3)12-10-16/h4-13H,14H2,1-3H3,(H2,23,24,25)/b22-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50479523
![PNG](/data/jpeg/tenK5047/BindingDB_50479523.png) (CHEMBL461955)Show SMILES COc1ccc(\C=N\Nc2[nH]nc(C)c2C(=O)N(C)c2ccccc2)cc1 Show InChI InChI=1S/C20H21N5O2/c1-14-18(20(26)25(2)16-7-5-4-6-8-16)19(24-22-14)23-21-13-15-9-11-17(27-3)12-10-15/h4-13H,1-3H3,(H2,22,23,24)/b21-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3 |
J Med Chem 52: 1050-62 (2009)
Article DOI: 10.1021/jm801270e BindingDB Entry DOI: 10.7270/Q27M0BQJ |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
![PNG](/data/jpeg/tenK2/BindingDB_28681.png) (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description Activity at human PPAR gamma in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50181911
![PNG](/data/jpeg/tenK5018/BindingDB_50181911.png) ((5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}...)Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36) | PDB
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Curated by ChEMBL
| Assay Description Activity at human PPAR alpha in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50196245
![PNG](/data/jpeg/tenK5019/BindingDB_50196245.png) (2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)Show SMILES CCCc1c(OCCCn2ccc3cc(OCC(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)38-19-6-17-34-18-16-25-21-27(12-14-30(25)34)39-22-32(35)36/h3-5,8-16,18,20-21H,2,6-7,17,19,22H2,1H3,(H,35,36) | PDB
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Curated by ChEMBL
| Assay Description Activity at human PPAR delta in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50196246
![PNG](/data/jpeg/tenK5019/BindingDB_50196246.png) (2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)Show SMILES CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39) | PDB
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National Health Research Institutes
Curated by ChEMBL
| Assay Description Activity at human PPAR delta in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50181911
![PNG](/data/jpeg/tenK5018/BindingDB_50181911.png) ((5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}...)Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36) | PDB
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National Health Research Institutes
Curated by ChEMBL
| Assay Description Activity at human PPAR delta in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50181911
![PNG](/data/jpeg/tenK5018/BindingDB_50181911.png) ((5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}...)Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description Activity at human PPAR gamma in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50196245
![PNG](/data/jpeg/tenK5019/BindingDB_50196245.png) (2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)Show SMILES CCCc1c(OCCCn2ccc3cc(OCC(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)38-19-6-17-34-18-16-25-21-27(12-14-30(25)34)39-22-32(35)36/h3-5,8-16,18,20-21H,2,6-7,17,19,22H2,1H3,(H,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 2.21E+3 | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Activity at human PPAR gamma in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50196247
![PNG](/data/jpeg/tenK5019/BindingDB_50196247.png) (2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)Show SMILES CCCc1c(OCCCn2ccc3ccc(OCC(O)=O)cc23)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-14-11-26(33(37)24-8-4-3-5-9-24)20-25(28)12-15-31(29)38-19-6-17-34-18-16-23-10-13-27(21-30(23)34)39-22-32(35)36/h3-5,8-16,18,20-21H,2,6-7,17,19,22H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
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National Health Research Institutes
Curated by ChEMBL
| Assay Description Activity at human PPAR alpha in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50196246
![PNG](/data/jpeg/tenK5019/BindingDB_50196246.png) (2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)Show SMILES CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-15-12-27(33(37)24-10-6-5-7-11-24)22-25(29)13-17-32(30)40-21-8-19-36-20-18-26-23-28(14-16-31(26)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 650 | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Activity at human PPAR gamma in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50196248
![PNG](/data/jpeg/tenK5019/BindingDB_50196248.png) (2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)Show SMILES CCCc1c(OCCCn2ccc3ccc(OC(C)(C)C(O)=O)cc23)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C35H35NO5/c1-4-9-30-29-16-13-27(33(37)25-10-6-5-7-11-25)22-26(29)14-17-32(30)40-21-8-19-36-20-18-24-12-15-28(23-31(24)36)41-35(2,3)34(38)39/h5-7,10-18,20,22-23H,4,8-9,19,21H2,1-3H3,(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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National Health Research Institutes
Curated by ChEMBL
| Assay Description Activity at human PPAR alpha in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50196249
![PNG](/data/jpeg/tenK5019/BindingDB_50196249.png) (2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)Show SMILES CCCc1c(OCCCn2ccc3c(OCC(O)=O)cccc23)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C33H31NO5/c1-2-8-27-26-15-13-25(33(37)23-9-4-3-5-10-23)21-24(26)14-16-31(27)38-20-7-18-34-19-17-28-29(34)11-6-12-30(28)39-22-32(35)36/h3-6,9-17,19,21H,2,7-8,18,20,22H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
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National Health Research Institutes
Curated by ChEMBL
| Assay Description Activity at human PPAR delta in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50196250
![PNG](/data/jpeg/tenK5019/BindingDB_50196250.png) (2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)Show SMILES CCCc1c(OCCCn2ccc3c(OC(C)(C)C(O)=O)cccc23)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C35H35NO5/c1-4-10-28-27-17-15-26(33(37)24-11-6-5-7-12-24)23-25(27)16-18-31(28)40-22-9-20-36-21-19-29-30(36)13-8-14-32(29)41-35(2,3)34(38)39/h5-8,11-19,21,23H,4,9-10,20,22H2,1-3H3,(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Patents
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| Article PubMed
| n/a | n/a | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Activity at human PPAR delta in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50196250
![PNG](/data/jpeg/tenK5019/BindingDB_50196250.png) (2-(1-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)prop...)Show SMILES CCCc1c(OCCCn2ccc3c(OC(C)(C)C(O)=O)cccc23)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C35H35NO5/c1-4-10-28-27-17-15-26(33(37)24-11-6-5-7-12-24)23-25(27)16-18-31(28)40-22-9-20-36-21-19-29-30(36)13-8-14-32(29)41-35(2,3)34(38)39/h5-8,11-19,21,23H,4,9-10,20,22H2,1-3H3,(H,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Activity at human PPAR gamma in Huh7 cells by transactivation assay |
J Med Chem 49: 6421-4 (2006)
Article DOI: 10.1021/jm060663c BindingDB Entry DOI: 10.7270/Q2C53KG6 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |