BDBM77092 CMX-157::CMX157::HDP-tenofovir::Tenofovir Exalidex::US12049474, Compound CMX157::hexadecyloxypropyl 9-(2-(phosphonomethoxy)propyl)adenine

SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12

InChI Key InChIKey=SCTJKHUUZLXJIP-UHFFFAOYSA-N

Data  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 77092   

TargetGag-Pol polyprotein [588-1147,K652R,M771V](HIV-1)
Chimerix

US Patent
LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 1.80nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2018
Entry Details
US Patent

LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 3.10nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2018
Entry Details
US Patent

LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 3.80nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2018
Entry Details
US Patent

LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 5nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2018
Entry Details
US Patent

LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 9nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2018
Entry Details
US Patent

LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 19nMAssay Description:The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2018
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Emory University

US Patent
LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 5.33E+4nMAssay Description:Test compounds were prepared in 100% DMSO or 100% MeOH and did not exceed a final concentration of <0.2% in the final reaction. A 100 mM sodium phosp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/12/2024
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Emory University

US Patent
LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 5.33E+4nMAssay Description:Test compounds were prepared in 100% DMSO or 100% MeOH and did not exceed a final concentration of <0.2% in the final reaction. A 100 mM sodium phosp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/12/2024
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Emory University

US Patent
LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 5.33E+4nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin as a substrate incubated for 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Emory University

US Patent
LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 7.08E+4nMAssay Description:Test compounds were prepared in 100% DMSO or 100% MeOH and did not exceed a final concentration of <0.2% in the final reaction. A 100 mM sodium phosp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/12/2024
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Emory University

US Patent
LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 7.08E+4nMAssay Description:Test compounds were prepared in 100% DMSO or 100% MeOH and did not exceed a final concentration of <0.2% in the final reaction. A 100 mM sodium phosp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/12/2024
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Emory University

US Patent
LigandPNGBDBM77092(CMX-157 | HDP-tenofovir | hexadecyloxypropyl 9-(2-...)
Affinity DataIC50: 7.08E+4nMAssay Description:Inhibition of human recombinant CYP2D6 expressed in insect microsome using (3-[2-(N,N-dimethyl-N-methylammonium)-ethyl]-7-methoxy-4-methylcoumarin io...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed