BDBM87054 Bisanilinopyrimidine inhibitor, 8::Bisanilinopyrimidine, 6i::US9249124, 32

SMILES OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Br)n2)cc1

InChI Key InChIKey=NCXZWZMYZVWHNN-UHFFFAOYSA-N

Data  5 IC50  2 Kd  1 ITC

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 87054   

TargetAurora kinase A(Homo sapiens (Human))
Moffitt Cancer Center

LigandPNGBDBM87054(Bisanilinopyrimidine inhibitor, 8 | Bisanilinopyri...)
Affinity DataIC50:  2.10nM Kd:  13nMpH: 7.4 T: 2°CAssay Description:The formation of ADP from ATP was quantified using a coupled enzyme assay (DiscoverX) in with a fluorescent resorufin dye is generated from the inter...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Moffitt Cancer Center

LigandPNGBDBM87054(Bisanilinopyrimidine inhibitor, 8 | Bisanilinopyri...)
Affinity DataIC50:  2.10nMAssay Description:In vitro enzyme activity assay using Aurora Kinase A. More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Moffitt Cancer Center

LigandPNGBDBM87054(Bisanilinopyrimidine inhibitor, 8 | Bisanilinopyri...)
Affinity DataIC50:  2.10nM Kd:  13nMpH: 7.4Assay Description:The binding of inhibitors to Aurora A kinase was analyzed with a MicroCal iTC200 titration calorimeter (GE Healthcare, Piscataway, N.J.). The protein...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Moffitt Cancer Center

LigandPNGBDBM87054(Bisanilinopyrimidine inhibitor, 8 | Bisanilinopyri...)
Affinity DataIC50:  2.10nMpH: 7.4 T: 2°CAssay Description:Aurora A was exchanged into 50 mM phosphate buffer (pH 7.4) including 1 mM DTT via PD-10 columns and was concentrated to 20 mg mL-1 using Amicon Ultr...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Moffitt Cancer Center

LigandPNGBDBM87054(Bisanilinopyrimidine inhibitor, 8 | Bisanilinopyri...)
Affinity DataIC50:  2.10nMpH: 7.4 T: 2°CAssay Description:Reactions were carried out at room temperature in 15 mM HEPES buffer (pH 7.4) containing 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, 5% (v/v)...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 87054   

CellSerine/threonine-protein kinase Aurora-A(Homo sapiens (Human))
Moffitt Cancer Center

SyringePNGBDBM87054(Bisanilinopyrimidine inhibitor, 8 | Bisanilinopyri...)
ITC Data−TΔS°: -4.06kcal/mole ΔH°: -15.0kcal/mole
pH: 7.4 T: 25.00°C