Found 4 hits Enzyme Inhibition Constant Data 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/Targeting protein for Xklp2
(275/276 > 99%)† (Homo sapiens (Human)) | BDBM50059435
 (CHEMBL3393498)Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin... |
J Med Chem 58: 362-75 (2015)
Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aurora kinase A/Targeting protein for Xklp2
(275/276 > 99%)† (Homo sapiens (Human)) | BDBM50059588
 (CHEMBL3393497)Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 Show InChI InChI=1S/C27H24N4O4/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi
Curated by ChEMBL
| Assay Description Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin... |
J Med Chem 58: 362-75 (2015)
Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aurora kinase A/Targeting protein for Xklp2
(275/276 > 99%)† (Homo sapiens (Human)) | BDBM50059435
 (CHEMBL3393498)Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length His-tagged human Aurora A expressed in baculovirus expression system by Z'LYTE assay |
Bioorg Med Chem Lett 27: 4405-4408 (2017)
Article DOI: null BindingDB Entry DOI: 10.7270/Q2WQ06CB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aurora kinase A/Targeting protein for Xklp2
(275/276 > 99%)† (Homo sapiens (Human)) | BDBM50059435
 (CHEMBL3393498)Show SMILES CCOC(=O)c1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 106 | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of Aurora A auto-phosphorylation in human HCT116 cells after 4 hrs by Western blot analysis |
Bioorg Med Chem Lett 27: 4405-4408 (2017)
Article DOI: null BindingDB Entry DOI: 10.7270/Q2WQ06CB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |