BDBM87051 Bisanilinopyrimidine inhibitor, 5::Bisanilinopyrimidine, 6d

SMILES c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F

InChI Key InChIKey=VKIURNGMKFWIQX-UHFFFAOYSA-N

Data  2 IC50  1 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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 87051   

TargetAurora kinase A(Human)
Moffitt Cancer Center

LigandPNGBDBM87051(Bisanilinopyrimidine, 6d | Bisanilinopyrimidine in...)
Affinity DataIC50: 28nM Kd:  40nMpH: 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
In Depth
Date in BDB:
6/18/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAurora kinase A(Human)
Moffitt Cancer Center

LigandPNGBDBM87051(Bisanilinopyrimidine, 6d | Bisanilinopyrimidine in...)
Affinity DataIC50: 28nMAssay Description:In vitro enzyme activity assay using Aurora Kinase A. More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/15/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 87051   

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

SyringePNGBDBM87051(Bisanilinopyrimidine, 6d | Bisanilinopyrimidine in...)
ITC Data−TΔS°: -1.21kcal/mole ΔH°: -11.0kcal/mole
pH: 7.4 T: 25.00°C