BDBM320045 3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- methyl-1,3- thiazol-2-yl)-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide, as a single unknown isomer::US10174016, Example 212::US10202369, Example 212::US10472354, Example 212

SMILES C[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F

InChI Key InChIKey=XFFHESNTQMKRAI-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 = 320045   

TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320045(US10174016, Example 212 | 3-[(3-fluoro-1- methylpi...)
Affinity DataIC50: 4nMAssay 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
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TargetP2X purinoceptor 2(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320045(US10174016, Example 212 | 3-[(3-fluoro-1- methylpi...)
Affinity DataIC50: 46nMAssay 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
LigandPNGBDBM320045(US10174016, Example 212 | 3-[(3-fluoro-1- methylpi...)
Affinity DataIC50: 4nMAssay 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)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320045(US10174016, Example 212 | 3-[(3-fluoro-1- methylpi...)
Affinity DataIC50: 46nMAssay 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
LigandPNGBDBM320045(US10174016, Example 212 | 3-[(3-fluoro-1- methylpi...)
Affinity DataIC50: 4nMAssay 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 2/3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320045(US10174016, Example 212 | 3-[(3-fluoro-1- methylpi...)
Affinity DataIC50: 46nMAssay 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
LigandPNGBDBM320045(US10174016, Example 212 | 3-[(3-fluoro-1- methylpi...)
Affinity DataIC50: 4nMAssay 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 2/3(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320045(US10174016, Example 212 | 3-[(3-fluoro-1- methylpi...)
Affinity DataIC50: 46nMAssay 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