BDBM87052 Bisanilinopyrimidine inhibitor, 6::Bisanilinopyrimidine, 6a::US9249124, 24

SMILES OC(=O)c1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1

InChI Key InChIKey=DSRXYFSONVBAKS-UHFFFAOYSA-N

Data  6 IC50  3 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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 87052   

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

LigandPNGBDBM87052(Bisanilinopyrimidine inhibitor, 6 | Bisanilinopyri...)
Affinity DataIC50:  3.70nM Kd:  16nMpH: 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

LigandPNGBDBM87052(Bisanilinopyrimidine inhibitor, 6 | Bisanilinopyri...)
Affinity DataIC50:  3.70nMAssay 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

LigandPNGBDBM87052(Bisanilinopyrimidine inhibitor, 6 | Bisanilinopyri...)
Affinity DataIC50:  3.70nMpH: 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
TargetAurora kinase A(Homo sapiens (Human))
Moffitt Cancer Center

LigandPNGBDBM87052(Bisanilinopyrimidine inhibitor, 6 | Bisanilinopyri...)
Affinity DataKd:  16nMAssay Description:Binding affinity to His6 tagged MBP fused human aurora A (123 to 390 residues) expressed in Escherichia coli Tuner (DE3) cells by isothermal titratio...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Moffitt Cancer Center

LigandPNGBDBM87052(Bisanilinopyrimidine inhibitor, 6 | Bisanilinopyri...)
Affinity DataIC50:  3.70nM Kd:  16nMpH: 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

LigandPNGBDBM87052(Bisanilinopyrimidine inhibitor, 6 | Bisanilinopyri...)
Affinity DataIC50:  3.70nMAssay Description:Inhibition of His6 tagged MBP fused human aurora A (123 to 390 residues) expressed in Escherichia coli Tuner (DE3) cellsMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Moffitt Cancer Center

LigandPNGBDBM87052(Bisanilinopyrimidine inhibitor, 6 | Bisanilinopyri...)
Affinity DataIC50:  3.70nMpH: 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 87052   

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

SyringePNGBDBM87052(Bisanilinopyrimidine inhibitor, 6 | Bisanilinopyri...)
ITC Data−TΔS°: -6.20kcal/mole ΔH°: -17.0kcal/mole
pH: 7.4 T: 25.00°C