Found 5 hits in this display 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)) | BDBM87050
(Bisanilinopyrimidine inhibitor, 4 | Bisanilinopyri...)Show SMILES OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)cc1 Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-2-4-14(13)24-15-9-10-22-17(25-15)23-12-7-5-11(6-8-12)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 35 | 49 | n/a | n/a | n/a | 7.4 | 25 |
Moffitt Cancer Center and Research Institute
| Assay Description The formation of ADP from ATP was quantified using a coupled enzyme assay (DiscoverX) in with a fluorescent resorufin dye is generated from the inter... |
ACS Chem Biol 7: 698-706 (2012)
Article DOI: 10.1021/cb200508b BindingDB Entry DOI: 10.7270/Q2PK0DRH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM87050
(Bisanilinopyrimidine inhibitor, 4 | Bisanilinopyri...)Show SMILES OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)cc1 Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-2-4-14(13)24-15-9-10-22-17(25-15)23-12-7-5-11(6-8-12)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB US Patent
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | 7.4 | 25 |
H. Lee Moffitt Cancer Center and Research Institute, Inc.
US Patent
| Assay Description Reactions were carried out at room temperature in 15 mM HEPES buffer (pH 7.4) containing 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, 5% (v/v)... |
US Patent US9249124 (2016)
BindingDB Entry DOI: 10.7270/Q2J1020R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM87050
(Bisanilinopyrimidine inhibitor, 4 | Bisanilinopyri...)Show SMILES OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)cc1 Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-2-4-14(13)24-15-9-10-22-17(25-15)23-12-7-5-11(6-8-12)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB US Patent
| n/a | n/a | 35 | 49 | n/a | n/a | n/a | 7.4 | n/a |
H. Lee Moffitt Cancer Center and Research Institute, Inc.
US Patent
| Assay Description The binding of inhibitors to Aurora A kinase was analyzed with a MicroCal iTC200 titration calorimeter (GE Healthcare, Piscataway, N.J.). The protein... |
US Patent US9249124 (2016)
BindingDB Entry DOI: 10.7270/Q2J1020R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM87050
(Bisanilinopyrimidine inhibitor, 4 | Bisanilinopyri...)Show SMILES OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)cc1 Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-2-4-14(13)24-15-9-10-22-17(25-15)23-12-7-5-11(6-8-12)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB US Patent
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | 7.4 | 18 |
H. Lee Moffitt Cancer Center and Research Institute, Inc.
US Patent
| Assay Description Aurora A was exchanged into 50 mM phosphate buffer (pH 7.4) including 1 mM DTT via PD-10 columns and was concentrated to 20 mg mL-1 using Amicon Ultr... |
US Patent US9249124 (2016)
BindingDB Entry DOI: 10.7270/Q2J1020R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM87050
(Bisanilinopyrimidine inhibitor, 4 | Bisanilinopyri...)Show SMILES OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)cc1 Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-2-4-14(13)24-15-9-10-22-17(25-15)23-12-7-5-11(6-8-12)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 35.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
| Assay Description In vitro enzyme activity assay using Aurora Kinase A. |
J Med Chem 55: 7392-416 (2012)
Article DOI: 10.1021/jm300334d BindingDB Entry DOI: 10.7270/Q2V986NH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |