BDBM247368 US9447092, Comparator 2, Example 57

SMILES Cc1nn(C)c(C)c1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1

InChI Key InChIKey=BMSHQZWQPJMOJN-UHFFFAOYSA-N

Data  8 IC50

  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 8 hits for monomerid = 247368   

TargetAurora kinase A(Homo sapiens (Human))
Cancer Research Technology

US Patent
LigandPNGBDBM247368(US9447092, Comparator 2, Example 57)
Affinity DataIC50:  300nMAssay Description:Myc-tagged Aurora A was transfected in Hela cells using Lipofectamine LTX in 24 well plates, and 24 hours after transfection, cells were treated with...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Cancer Research Technology

US Patent
LigandPNGBDBM247368(US9447092, Comparator 2, Example 57)
Affinity DataIC50:  1.08E+4nMAssay Description:All hERG percentage inhibitions at 10 uM compound concentration were determined by Millipore in a high-throughput cell-based electrophysiology assay ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 1A2(Homo sapiens (Human))
Cancer Research Technology

US Patent
LigandPNGBDBM247368(US9447092, Comparator 2, Example 57)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Cancer Research Technology

US Patent
LigandPNGBDBM247368(US9447092, Comparator 2, Example 57)
Affinity DataIC50: <1.00E+3nMAssay Description:Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Cancer Research Technology

US Patent
LigandPNGBDBM247368(US9447092, Comparator 2, Example 57)
Affinity DataIC50:  30nMAssay Description:Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
Cancer Research Technology

US Patent
LigandPNGBDBM247368(US9447092, Comparator 2, Example 57)
Affinity DataIC50:  30nMAssay Description:Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Cancer Research Technology

US Patent
LigandPNGBDBM247368(US9447092, Comparator 2, Example 57)
Affinity DataIC50:  30nMAssay Description:Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Cancer Research Technology

US Patent
LigandPNGBDBM247368(US9447092, Comparator 2, Example 57)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent