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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 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

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