BDBM254258 US10112937, Example 148::US10150765, Example 148::US10703749, Example 148::US9464084, 148

SMILES C[C@H]1N(CCc2c1nnn2-c1cc(F)ccn1)C(=O)c1cccc(c1Cl)C(F)(F)F

InChI Key InChIKey=ZBNSIPDAEHDWPC-UHFFFAOYSA-N

Data  5 KI  19 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 24 hits for monomerid = 254258   

TargetCytochrome P450 2C8(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 11.8nMAssay Description:Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2021
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 8.5nMAssay Description:Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2021
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of [3H]-dofetilide binding to human ERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 12nMAssay Description:Antagonist activity at recombinant rat P2X7 expressed in human 1321N1 cells assessed as inhibition of BzATP-induced calcium flux preincubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 8.30nMAssay Description:Antagonist activity at recombinant human P2X7 expressed in human 1321N1 cells assessed as inhibition of BzATP-induced calcium flux preincubated for 3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 11.8nMAssay Description:1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 8.5nMAssay Description:1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 11.8nMpH: 7.4Assay Description:1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 8.5nMpH: 7.4Assay Description:1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 11.8nMpH: 7.4Assay Description:1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 8.5nMpH: 7.4Assay Description:1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 11.8nMpH: 7.4Assay Description:1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2017
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataIC50: 8.5nMpH: 7.4Assay Description:1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2017
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataKi:  31.6nMAssay Description:human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2017
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataKi:  31.6nMAssay Description:Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataKi:  31.6nMAssay Description:uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataKi:  31.6nMAssay Description:uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2019
Entry Details
Go to US Patent

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254258(US9464084, 148 | US10112937, Example 148 | US10150...)
Affinity DataKi:  31.6nMAssay Description:Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2021
Entry Details
Go to US Patent