Found 3 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
(267/267 = 100%)†
(Homo sapiens (Human)) | BDBM50200392
(CHEMBL383899 | Cyclopropanecarboxylic acid-(3-(4-(...)Show SMILES FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1 Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
ActiveSight
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-A |
Bioorg Med Chem Lett 17: 688-91 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.086
BindingDB Entry DOI: 10.7270/Q2N0165M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aurora kinase A
(267/267 = 100%)†
(Homo sapiens (Human)) | BDBM50200392
(CHEMBL383899 | Cyclopropanecarboxylic acid-(3-(4-(...)Show SMILES FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1 Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A kinase (unknown origin) |
Eur J Med Chem 140: 1-19 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aurora kinase A
(267/267 = 100%)†
(Homo sapiens (Human)) | BDBM50200392
(CHEMBL383899 | Cyclopropanecarboxylic acid-(3-(4-(...)Show SMILES FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1 Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Inhibition of Aurora kinase A |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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