BDBM26294 CHEMBL214848::N-(2,3-difluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide::pyrazoloquinazoline deriv., 28
SMILES: CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC
InChI Key: InChIKey=YOZAGBCKIMCHID-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aurora kinase B (Homo sapiens (Human)) | BDBM26294 (CHEMBL214848 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | <1 | <-12.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca | Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence... | J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM26294 (CHEMBL214848 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 360 | -8.78 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
AstraZeneca | Assay Description In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ... | J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase B (Homo sapiens (Human)) | BDBM26294 (CHEMBL214848 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL | Assay Description Inhibition of aurora B in human SW620 cells assessed as inhibition of histone H3 phosphorylation | J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM26294 (CHEMBL214848 | N-(2,3-difluorophenyl)-2-{3-[(7-{3-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL | Assay Description Inhibition of aurora A kinase | J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920 | |||||||||||
More data for this Ligand-Target Pair |