BDBM50343940 (R)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile::CHEMBL1778664
SMILES: C[C@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
InChI Key: InChIKey=XHHRGYCOEVNAKV-CYBMUJFWSA-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)) | BDBM50343940 ((R)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 66 | 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 |