BDBM87123 3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-tris(fluoranyl)ethanoic acid::3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-keto-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid::3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid::CHEMBL1907089::ML298 (4)::VU0462225-1::cid_53393915

SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1

InChI Key InChIKey=XAPVAKKLQGLNOY-UHFFFAOYSA-N

Data  16 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 87123   

TargetPhospholipase D2(Human)
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 355nMAssay Description:Phospholipase D (PLD) generates the lipid second messenger phosphatidic acid as part of a plethora of cellular functions. Phosphatidic acid (PtdOH) i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay
TargetPhospholipase D1(Human)
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Phospholipase D (PLD) generates the lipid second messenger phosphatidic acid as part of a plethora of cellular functions. Phosphatidic acid (PtdOH) i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2012
Entry Details
PCBioAssay
TargetPhospholipase D1(Human)
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2015
Entry Details Article
PubMed
TargetPhospholipase D2(Human)
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 355nMAssay Description:Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2015
Entry Details Article
PubMed
TargetPhospholipase D(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
Vanderbilt University

LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 2.00E+4nMpH: 7.5Assay Description:In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2015
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 1.76E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetPhospholipase D2(Human)
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 355nMAssay Description:Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetPhospholipase D1(Human)
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetProcathepsin L(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 228nMAssay Description:Inhibition of human liver cathepsin L using Z-R-R-AMC as substrate preincubated with compound for 5 mins measured after 20 mins by fluorescence analy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetCathepsin B(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human liver cathepsin B using Z-R-R-AMC as substrate preincubated with compound for 5 mins measured after 20 mins by fluorescence analy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetPhospholipase D1(Human)
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of PLD1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetPhospholipase D2(Human)
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-...)
Affinity DataIC50: 355nMAssay Description:Inhibition of PLD2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed