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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 87123   

TargetPhospholipase D2(Homo sapiens (Human))
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
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 DepthDetails PCBioAssay
TargetPhospholipase D2(Homo sapiens (Human))
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
Affinity DataIC50:  355nMAssay Description:Inhibition of PLD2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospholipase D1(Homo sapiens (Human))
Vanderbilt University

LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
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 DepthDetails ArticlePubMed
TargetPhospholipase D2(Homo sapiens (Human))
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
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 DepthDetails ArticlePubMed
TargetPhospholipase(Pseudomonas aeruginosa (g-Proteobacteria))
Vanderbilt University

LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
Affinity DataIC50:  7.90E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
Affinity DataIC50:  1.76E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospholipase D2(Homo sapiens (Human))
Vanderbilt Specialized Chemistry Center

Curated by PubChem BioAssay
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
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 DepthDetails ArticlePubMed
TargetPhospholipase D1(Homo sapiens (Human))
Vanderbilt University

LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
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 DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
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 DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
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 DepthDetails ArticlePubMed
TargetPhospholipase D1(Homo sapiens (Human))
Vanderbilt University

LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of PLD1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospholipase D1(Homo sapiens (Human))
Vanderbilt University

LigandPNGBDBM87123(3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...)
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 DepthDetails PCBioAssay