BDBM320017 Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-{[3- hydroxybutan-2- yl]oxy}-N-{(1R)-1- [2-(trifluoromethyl) pyrimidin-5-yl]ethyl} benzamide::US10174016, Example 184::US10174016, Example 185::US10174016, Example 187::US10174016, Example 188::US10202369, Example 188::US10472354, Example 188

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

InChI Key InChIKey=QTLJKKFADUZLKR-VOMCLLRMSA-N

Data  42 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 42 hits for monomerid = 320017   

TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  6nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2/3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  164nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  123nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  7nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  218nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  164nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  6nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  128nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  123nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  7nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  218nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  164nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 1A2(Homo sapiens (Human))
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C8(Homo sapiens (Human))
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  1.90E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  6nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2/3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  128nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2/3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  123nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  7nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2/3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  218nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2/3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  164nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 1A2(Homo sapiens (Human))
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C8(Homo sapiens (Human))
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  1.90E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Beyer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  6nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2/3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  128nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2/3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  123nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  7nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2/3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  218nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 3(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetP2X purinoceptor 2(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM320017(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Affinity DataIC50:  128nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent