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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: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50034220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphoehtnaolamine Methyltransferases 1 (PMT1)


(Caenorhabditis elegans)
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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Article
PubMed
n/an/a 1.25E+5n/an/an/an/a8.025



Washington University



Assay Description
A radiochemical assay was used to measure enzymatic activity.


J Biol Chem 286: 38060-8 (2011)

More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
PDB

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Article
PubMed
n/an/a 1.25E+4n/an/an/an/a8.025



Washington University



Assay Description
A radiochemical assay was used to measure enzymatic activity.


J Biol Chem 286: 38060-8 (2011)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
PDB
MMDB

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Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay 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...


Bioorg Med Chem 21: 2018-24 (2013)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 2 (cdc2) kinase


J Med Chem 39: 2609-14 (1996)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Cell division cycle 25 (Cdc25) phosphatase


J Med Chem 39: 2609-14 (1996)

More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Laboratorios Menarini SA

Curated by ChEMBL


Assay Description
PAF agonism was measured as the IC50 for aggregation of washed rabbit platelets after incubation for 30 min at 37 C.


J Med Chem 38: 1216-28 (1995)

More data for this
Ligand-Target Pair