BDBM50192283 (S)-N-(5-(7-(2-hydroxy-3-(piperidin-1-yl)propoxy)-6-methoxyquinazolin-4-ylamino)pyrimidin-2-yl)benzamide::CHEMBL427212::N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE::S)-N-5-7-2-hydroxy-3-piperidin-1-yl)propoxy)-6-methoxyquinazolin-4-ylamino)pyrimidin-2-yl)benzamide
SMILES: COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OC[C@@H](O)CN1CCCCC1
InChI Key: InChIKey=WHHFZOIADLFZRX-NRFANRHFSA-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 A (Homo sapiens (Human)) | BDBM50192283 ((S)-N-(5-(7-(2-hydroxy-3-(piperidin-1-yl)propoxy)-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB 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 | 3D Structure (crystal) |