BDBM50343942 2-(6-hydroxyhexylthio)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile::CHEMBL1777841
SMILES: Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCO)n2)[nH]n1
InChI Key: InChIKey=DDUNPQWISLAUDG-UHFFFAOYSA-N
Data: 1 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 A (Homo sapiens (Human)) | BDBM50343942 (2-(6-hydroxyhexylthio)-4-methyl-6-(5-methyl-1H-pyr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL | Assay Description Inhibition of aurora A | Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3 | |||||||||||
More data for this Ligand-Target Pair |