BDBM689138 US12049474, Compound B1-1-024

SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCCCCCCCCCCCCCCC#C

InChI Key InChIKey=SLBHFLYQMFUSNN-UHFFFAOYSA-M

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 689138   

TargetCytochrome P450 2D6(Human)
Emory University

US Patent
LigandPNGBDBM689138(US12049474, Compound B1-1-024)
Affinity DataIC50: 2.39E+3nMAssay 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
LigandPNGBDBM689138(US12049474, Compound B1-1-024)
Affinity DataIC50: 1.87E+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