BDBM26280 2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-nitrophenyl)acetamide::pyrazoloquinazoline deriv., 14
SMILES: COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)[N+]([O-])=O)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
InChI Key: InChIKey=PJXJTLKNCJRPQT-UHFFFAOYSA-N
Data: 2 KI
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)) | BDBM26280 (2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 39 | -10.0 | 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)) | BDBM26280 (2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 890 | -8.25 | 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 |