BDBM50192281 3-chloro-N-(5-(6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-ylamino)pyrimidin-2-yl)benzamide::3-chloro-N-5-6-methoxy-7-3-piperidin-1-yl)propoxy)quinazolin-4-ylamino)pyrimidin-2-yl)benzamide::CHEMBL203945
SMILES: COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCCCC1
InChI Key: InChIKey=VORYRVZJHGILPD-UHFFFAOYSA-N
Data: 1 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)) | BDBM50192281 (3-chloro-N-(5-(6-methoxy-7-(3-(piperidin-1-yl)prop...) | 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 | 0.800 | 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 |