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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit 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

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