BDBM50335608 3-((4-(6-bromo-2-(4-(piperazin-1-yl)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole::CHEMBL1651455
SMILES: Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(cc2)N2CCNCC2)no1
InChI Key: InChIKey=GHWIHPCCWVAHLG-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)) | BDBM50335608![]() (3-((4-(6-bromo-2-(4-(piperazin-1-yl)phenyl)-3H-imi...) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University Curated by ChEMBL | Assay Description Inhibition of Aurora A | Eur J Med Chem 46: 77-94 (2010) Article DOI: 10.1016/j.ejmech.2010.10.017 BindingDB Entry DOI: 10.7270/Q25X296N | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (docked) |