BindingDB PrimarySearch

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50034220
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phosphoehtnaolamine Methyltransferases 1 (PMT1) (Caenorhabditis elegans)	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	8.0	25
Washington University					Assay Description A radiochemical assay was used to measure enzymatic activity.				J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
Washington University					More data for this Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2) (Caenorhabditis elegans)	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	8.0	25
Washington University					Assay Description A radiochemical assay was used to measure enzymatic activity.				J Biol Chem 286: 38060-8 (2011) Article DOI: 10.1074/jbc.M111.290619 BindingDB Entry DOI: 10.7270/Q2GF0S39
Washington University					More data for this Ligand-Target Pair
Platelet activating factor receptor (Cavia porcellus)	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	37
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) BindingDB Entry DOI: 10.7270/Q2862H3G
Laboratorios Menarini SA Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm9509152 BindingDB Entry DOI: 10.7270/Q2G15ZXW
National Hellenic Research Foundation Curated by ChEMBL					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm9509152 BindingDB Entry DOI: 10.7270/Q2G15ZXW
National Hellenic Research Foundation Curated by ChEMBL					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2013.01.010 BindingDB Entry DOI: 10.7270/Q2NG4S1T
Kyung Hee University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2D6 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay				Eur J Med Chem 146: 423-434 (2018) Article DOI: 10.1016/j.ejmech.2018.01.043 BindingDB Entry DOI: 10.7270/Q2SN0CMX
University of Modena and Reggio Emilia Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP3A4 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay				Eur J Med Chem 146: 423-434 (2018) Article DOI: 10.1016/j.ejmech.2018.01.043 BindingDB Entry DOI: 10.7270/Q2SN0CMX
University of Modena and Reggio Emilia Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay 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...				Eur J Med Chem 146: 423-434 (2018) Article DOI: 10.1016/j.ejmech.2018.01.043 BindingDB Entry DOI: 10.7270/Q2SN0CMX
University of Modena and Reggio Emilia Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2C9 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay				Eur J Med Chem 146: 423-434 (2018) Article DOI: 10.1016/j.ejmech.2018.01.043 BindingDB Entry DOI: 10.7270/Q2SN0CMX
University of Modena and Reggio Emilia Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2C19 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay				Eur J Med Chem 146: 423-434 (2018) Article DOI: 10.1016/j.ejmech.2018.01.043 BindingDB Entry DOI: 10.7270/Q2SN0CMX
University of Modena and Reggio Emilia Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP1A2 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay				Eur J Med Chem 146: 423-434 (2018) Article DOI: 10.1016/j.ejmech.2018.01.043 BindingDB Entry DOI: 10.7270/Q2SN0CMX
University of Modena and Reggio Emilia Curated by ChEMBL					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human ERG incubated for 2 hrs by fluorescence polarisation assay				Eur J Med Chem 146: 423-434 (2018) Article DOI: 10.1016/j.ejmech.2018.01.043 BindingDB Entry DOI: 10.7270/Q2SN0CMX
University of Modena and Reggio Emilia Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human))	BDBM50034220 (2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GRI BIO, INC. US Patent					Assay 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...				US Patent US10143668 (2018) BindingDB Entry DOI: 10.7270/Q2K35WQ0
GRI BIO, INC. US Patent					More data for this Ligand-Target Pair