BDBM17053 BX-320::N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylpropanediamide::N-{3-[(5-bromo-2-{[3-(pyrrolidin-1-ylcarbonylamino)phenyl]amino}pyrimidin-4-yl)amino]propyl}-2,2-dimethylpropanediamide

SMILES CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br

InChI Key InChIKey=ZNSULAZTNWFKEW-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 17053   

Target3-phosphoinositide-dependent protein kinase 1(Homo sapiens (Human))
Berlex Biosciences

LigandPNGBDBM17053(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)
Affinity DataIC50:  39nMpH: 7.2 T: 2°CAssay Description:The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...More data for this Ligand-Target Pair
Target3-phosphoinositide-dependent protein kinase 1(Homo sapiens (Human))
Berlex Biosciences

LigandPNGBDBM17053(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)
Affinity DataIC50:  39nMAssay Description:Inhibition of human recombinant PDK1 assessed as PtdIns-3,4-P2-mediated AKT2 activation using biotin-ARRRDGGGAQPFRPRAATF as substrate after 2 hrs by ...More data for this Ligand-Target Pair
Target3-phosphoinositide-dependent protein kinase 1(Homo sapiens (Human))
Berlex Biosciences

LigandPNGBDBM17053(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)
Affinity DataIC50:  30nMAssay Description:Inhibition of N terminal His-tagged human recombinant PDK1 using H2NARRRGVTTKTFCGT peptide as substrate assessed as substrate phosphorylation after 4...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
S Bio

Curated by ChEMBL
LigandPNGBDBM17053(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-phosphoinositide-dependent protein kinase 1(Homo sapiens (Human))
Berlex Biosciences

LigandPNGBDBM17053(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)
Affinity DataIC50:  39nMAssay Description:Inhibition of PDK1 using [gamma33P]-ATP as substrate after 30 mins by scintillation countingMore data for this Ligand-Target Pair