BDBM87055 Bisanilinopyrimidine inhibitor, 9::Bisanilinopyrimidine, 6n::US9249124, 37

SMILES OC(=O)c1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1

InChI Key InChIKey=MEKVNSMGVQRYJI-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
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 87055   

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

LigandPNGBDBM87055(Bisanilinopyrimidine inhibitor, 9 | Bisanilinopyri...)
Affinity DataIC50:  43nM Kd:  51nMpH: 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

LigandPNGBDBM87055(Bisanilinopyrimidine inhibitor, 9 | Bisanilinopyri...)
Affinity DataIC50:  43nMAssay 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

LigandPNGBDBM87055(Bisanilinopyrimidine inhibitor, 9 | Bisanilinopyri...)
Affinity DataIC50:  43nM Kd:  51nMpH: 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

LigandPNGBDBM87055(Bisanilinopyrimidine inhibitor, 9 | Bisanilinopyri...)
Affinity DataIC50:  43nMpH: 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

LigandPNGBDBM87055(Bisanilinopyrimidine inhibitor, 9 | Bisanilinopyri...)
Affinity DataIC50:  43nMpH: 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 = 87055   

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

SyringePNGBDBM87055(Bisanilinopyrimidine inhibitor, 9 | Bisanilinopyri...)
ITC Data−TΔS°: -6.20kcal/mole ΔH°: -16.0kcal/mole
pH: 7.4 T: 25.00°C