BDBM50034220 2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide::CHEMBL125::MILTEFOSINE::[2-(Hexadecyloxy-hydroxy-phosphoryloxy)-ethyl]-trimethyl-ammonium::hexadecyl 2-(trimethyl-lambda~5~-azanyl)ethyl hydrogen phosphate::hexadecyl 2-(trimethylammonio)ethyl phosphate::hexadecyloxy-2-trimethylammonioethylphosphorate::hexadecylphosphocholine::hexadecylphosphocholine, miltefosine::n-hexadecylphosphocholine

SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C

InChI Key InChIKey=PQLXHQMOHUQAKB-UHFFFAOYSA-N

Data  14 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 14 hits for monomerid = 50034220   

TargetPhosphoethanolamine N-methyltransferase 1(Caenorhabditis elegans)
Washington University

LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50:  1.25E+5nMpH: 8.0 T: 2°CAssay Description:A radiochemical assay was used to measure enzymatic activity.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphoethanolamine N-methyltransferase 2(Caenorhabditis elegans)
Washington University

LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50:  1.25E+4nMpH: 8.0 T: 2°CAssay Description:A radiochemical assay was used to measure enzymatic activity.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-activating factor receptor(Cavia porcellus)
Laboratorios Menarini

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50: >2.00E+5nMT: 2°CAssay Description:PAF agonism was measured as the IC50 for aggregation of washed rabbit platelets after incubation for 30 min at 37 C.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
National Hellenic Research Foundation

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of Cell division cycle 2 (cdc2) kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
National Hellenic Research Foundation

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of Cell division cycle 25 (Cdc25) phosphataseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50:  9.60E+3nMAssay Description:Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELI...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human microsomal CYP2D6 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human microsomal CYP3A4 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAurora kinase B(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant full-length human aurora B kinase expressed in baculovirus system using MBP as substrate incubated for 45 mins by ADP-glo k...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human microsomal CYP2C9 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human microsomal CYP2C19 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human microsomal CYP1A2 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human ERG incubated for 2 hrs by fluorescence polarisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-hexosaminidase subunit beta(Homo sapiens (Human))
Gri Bio

US Patent
LigandPNGBDBM50034220(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Affinity DataIC50:  4.20E+3nMAssay Description:Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...More data for this Ligand-Target Pair
In DepthDetails US Patent