BDBM12407 3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide::CHEMBL205877::quinazoline deriv. 5
SMILES: COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
InChI Key: InChIKey=AOXJOSBWMOJKHF-UHFFFAOYSA-N
Data: 2 IC50
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 A (Homo sapiens (Human)) | BDBM12407 (3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...) | 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 | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston Curated by ChEMBL | Assay Description Inhibition of Aurora A | J Med Chem 49: 4805-8 (2006) Article DOI: 10.1021/jm060522a BindingDB Entry DOI: 10.7270/Q2QZ29KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM12407 (3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...) | 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 | <0.100 | n/a | n/a | n/a | n/a | 7.5 | 22 |
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... | Bioorg Med Chem Lett 16: 1320-23 (2006) Article DOI: 10.1016/j.bmcl.2005.11.053 BindingDB Entry DOI: 10.7270/Q2WH2N7M | |||||||||||
More data for this Ligand-Target Pair |