BDBM319996 US10174016, Example 163::US10202369, Example 340::US10472354, Example 162

SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1cnc(nc1)C(F)(F)F

InChI Key InChIKey=FSGDRFBLPAILDE-UHFFFAOYSA-N

Data  20 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 20 hits for monomerid = 319996   

TargetP2X purinoceptor 2/3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 83nMAssay Description:A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2019
Entry Details
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TargetP2X purinoceptor 2/3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 74nMAssay Description:A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/14/2020
Entry Details
Go to US Patent

TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 5nMAssay Description:A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/14/2020
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2C9(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2C8(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2019
Entry Details
Go to US Patent

TargetCytochrome P450 1A2(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 2/3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 103nMAssay Description:A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 3nMAssay Description:A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 3nMAssay Description:A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/16/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 5nMAssay Description:A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2019
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Use of in vitro assays to evaluate the inhibition potential of new drug candidates towards CYP-mediated metabolism has been shown to be effective as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Use of in vitro assays to evaluate the inhibition potential of new drug candidates towards CYP-mediated metabolism has been shown to be effective as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2C9(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Use of in vitro assays to evaluate the inhibition potential of new drug candidates towards CYP-mediated metabolism has been shown to be effective as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2C8(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Use of in vitro assays to evaluate the inhibition potential of new drug candidates towards CYP-mediated metabolism has been shown to be effective as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2019
Entry Details
Go to US Patent

TargetCytochrome P450 1A2(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 2.00E+4nMAssay Description:Use of in vitro assays to evaluate the inhibition potential of new drug candidates towards CYP-mediated metabolism has been shown to be effective as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 2(Human)
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 83nMAssay Description:A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 5nMAssay Description:A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 2(Human)
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM319996(US10174016, Example 163 | US10202369, Example 340 ...)
Affinity DataIC50: 103nMAssay Description:A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/16/2019
Entry Details
Go to US Patent