BDBM319995 3-{[3-hydroxybutan-2-yl]oxy}-5-(5-methyl-1,3-thiazol-2-yl)-N-{(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}benzamide::US10174016, Example 162::US10174016, Example 338::US10202369, Example 339::US10472354, Example 338

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  23 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 319995   

TargetP2X purinoceptor 2/3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

Affinity DataIC50: 72nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
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TargetP2X purinoceptor 2/3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

Affinity DataIC50: 72nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/14/2020
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TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/14/2020
Entry Details
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TargetP2X purinoceptor 2/3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

Affinity DataIC50: 83nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/14/2020
Entry Details
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TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/14/2020
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TargetCytochrome P450 3A4(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
Entry Details
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TargetCytochrome P450 2D6(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
Entry Details
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TargetCytochrome P450 2C9(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
Entry Details
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TargetCytochrome P450 2C8(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
Entry Details
Copy Entry DOIGo to US Patent

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TargetCytochrome P450 1A2(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
Entry Details
Copy Entry DOIGo to US Patent

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TargetP2X purinoceptor 2/3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

Affinity DataIC50: 251nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
Entry Details
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TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
Entry Details
Copy Entry DOIGo to US Patent

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TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
5/16/2019
Entry Details
Copy Entry DOIGo to US Patent

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TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
Entry Details
Copy Entry DOIGo to US Patent

Copy Rxn URL

TargetP2X purinoceptor 2/3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

Affinity DataIC50: 74nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
Entry Details
Copy Entry DOIGo to US Patent

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TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
9/2/2019
Entry Details
Copy Entry DOIGo to US Patent

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TargetP2X purinoceptor 2(Human)
Beyer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

Affinity DataIC50: 72nMAssay 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

Target InfoUniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
5/15/2019
Entry Details
Copy Entry DOIGo to US Patent

Copy Rxn URL

TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
5/15/2019
Entry Details
Copy Entry DOIGo to US Patent

Copy Rxn URL

TargetP2X purinoceptor 2(Human)
Beyer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

Affinity DataIC50: 74nMAssay 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

Target InfoUniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
5/15/2019
Entry Details
Copy Entry DOIGo to US Patent

Copy Rxn URL

TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
5/15/2019
Entry Details
Copy Entry DOIGo to US Patent

Copy Rxn URL

TargetP2X purinoceptor 2(Human)
Beyer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

Affinity DataIC50: 251nMAssay 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

Target InfoUniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
5/16/2019
Entry Details
Copy Entry DOIGo to US Patent

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TargetP2X purinoceptor 3(Human)
Bayer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
5/16/2019
Entry Details
Copy Entry DOIGo to US Patent

Copy Rxn URL

TargetP2X purinoceptor 2(Human)
Beyer Aktiengesellschaft

US Patent

LigandBDBM319995(US10174016, Example 162 | 3-{[3-hydroxybutan-2-yl]...)Copy SMILESCopy InChI

Affinity DataIC50: 72nMAssay 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

Target InfoUniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
5/16/2019
Entry Details
Copy Entry DOIGo to US Patent

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