BDBM689134 US12049474, Compound EJM-8-030::US12049474, Compound MD-1-106

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

InChI Key InChIKey=ZENCYUYEIXWQCN-UHFFFAOYSA-M

Data  4 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 4 hits for monomerid = 689134   

TargetCytochrome P450 2D6(Human)
Emory University

US Patent
LigandPNGBDBM689134(US12049474, Compound EJM-8-030 | US12049474, Compo...)
Affinity DataIC50: 2.20E+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
Go to US Patent

TargetCytochrome P450 3A4(Human)
Emory University

US Patent
LigandPNGBDBM689134(US12049474, Compound EJM-8-030 | US12049474, Compo...)
Affinity DataIC50: 5.49E+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
Go to US Patent

TargetCytochrome P450 2D6(Human)
Emory University

US Patent
LigandPNGBDBM689134(US12049474, Compound EJM-8-030 | US12049474, Compo...)
Affinity DataIC50: 3.83E+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
Go to US Patent

TargetCytochrome P450 3A4(Human)
Emory University

US Patent
LigandPNGBDBM689134(US12049474, Compound EJM-8-030 | US12049474, Compo...)
Affinity DataIC50: 5.22E+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
Go to US Patent