BDBM80994 MLS002702412::SMR001565974::[3,4-dihydroxy-5-[2-keto-4-(stearylamino)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl [5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate::[3,4-dihydroxy-5-[4-(octadecylamino)-2-oxo-1-pyrimidinyl]-2-oxolanyl]methyl [5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate::[3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate::[5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl [5-[4-(octadecylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate::cid_392613

SMILES CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(O)(=O)OCC3OC(CC3O)n3cc(F)c(=O)[nH]c3=O)C(O)C2O)c(=O)n1

InChI Key InChIKey=WDHQBQJQPYACSM-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80994   

TargetPhospholipase A2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80994(MLS002702412 | [3,4-dihydroxy-5-[4-(octadecylamino...)
Affinity DataIC50: 9.09E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetCysteine protease ATG4B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80994(MLS002702412 | [3,4-dihydroxy-5-[4-(octadecylamino...)
Affinity DataIC50: 1.08E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay