BDBM14200 7-(3-methanesulfonylphenyl)-N-[3-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine::pyrrolopyrimidine 23
SMILES: CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)c1
InChI Key: InChIKey=VIJVPBNATKYZIF-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase Aurora-A (Mus musculus (mouse)) | BDBM14200 (7-(3-methanesulfonylphenyl)-N-[3-(4-methylpiperazi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Johnson & Johnson Pharmaceutical | Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme.... | Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ | |||||||||||
More data for this Ligand-Target Pair |