BDBM247367 US9447092, Comparator 1, Example 56

SMILES Cn1cc(cn1)-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1

InChI Key InChIKey=KLCAJPNNJWCSJD-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 = 247367   

TargetAurora kinase A(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM247367(US9447092, Comparator 1, Example 56)
Affinity DataIC50: 32nMAssay 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
In Depth
Date in BDB:
9/5/2017
Entry Details
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TargetPotassium voltage-gated channel subfamily H member 2(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM247367(US9447092, Comparator 1, Example 56)
Affinity DataIC50: 5.50E+3nMAssay 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
In Depth
Date in BDB:
9/5/2017
Entry Details
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TargetCytochrome P450 1A2(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM247367(US9447092, Comparator 1, Example 56)
Affinity DataIC50: 3.00E+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
In Depth
Date in BDB:
9/5/2017
Entry Details
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TargetCytochrome P450 2A6(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM247367(US9447092, Comparator 1, Example 56)
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
In Depth
Date in BDB:
9/5/2017
Entry Details
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TargetCytochrome P450 2C9(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM247367(US9447092, Comparator 1, Example 56)
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
In Depth
Date in BDB:
9/5/2017
Entry Details
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TargetCytochrome P450 2C19(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM247367(US9447092, Comparator 1, Example 56)
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
In Depth
Date in BDB:
9/5/2017
Entry Details
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TargetCytochrome P450 2D6(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM247367(US9447092, Comparator 1, Example 56)
Affinity DataIC50: 5.5nMAssay 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
In Depth
Date in BDB:
9/5/2017
Entry Details
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TargetCytochrome P450 3A4(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM247367(US9447092, Comparator 1, Example 56)
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
In Depth
Date in BDB:
9/5/2017
Entry Details
Go to US Patent