BDBM254326 US10112937, Example 228::US10150765, Example 228::US10703749, Example 228::US9464084, 228

SMILES C[C@H]1Cc2c(CN1C(=O)c1ccnc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1

InChI Key InChIKey=LMDWZBQISRTEBH-QMMMGPOBSA-N

Data  6 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 25 hits for monomerid = 254326   

TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataKi:  2.80nMAssay 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataKi:  4.80nMAssay 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataKi:  4.80nMAssay 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataKi:  4.80nMAssay 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataKi:  4.80nMAssay 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataKi:  7.5nMAssay 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  5.10nMAssay 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  8.20nMAssay 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  15nMAssay Description:Antagonist activity at rat recombinant P2X7 expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization after 30 mins by c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  10nMAssay Description:Antagonist activity at human recombinant P2X7 expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization after 30 mins by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C8(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone, midozolam or nifedipine as substratesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide or diclofenac as substratesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-Mephenytoin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50: >3.00E+3nMAssay Description:Inhibition of human ERG by Qpatch assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  5.10nMAssay 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  14.5nMpH: 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  9.90nMpH: 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  8.20nMpH: 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  5.10nMpH: 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  8.20nMpH: 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Rat)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  8.20nMAssay 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 DepthDetails US Patent


TargetP2X purinoceptor 7(Human)
Janssen Pharmaceutica

US Patent
LigandPNGBDBM254326(US10112937, Example 228 | US10150765, Example 228 ...)
Affinity DataIC50:  5.10nMpH: 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 DepthDetails US Patent