BDBM689156 US12049474, Compound MD-1-223

SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCSCCCCCCCCCCCOc1ccccc1

InChI Key InChIKey=HRGWKMHBBLMHSA-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 689156   

TargetCytochrome P450 2D6(Human)
Emory University

US Patent
LigandPNGBDBM689156(US12049474, Compound MD-1-223)
Affinity DataIC50: 2.00E+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
LigandPNGBDBM689156(US12049474, Compound MD-1-223)
Affinity DataIC50: 2.00E+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