BDBM42302 MLS000041013::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio]acetamide::SMR000044439::cid_663539

SMILES Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1

InChI Key InChIKey=FQBQPWNRPZORNL-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  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 = 42302   

TargetEnvelope glycoprotein gp160(HIV-1)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42302(MLS000041013 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataIC50: 1.39E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetEnvelope glycoprotein gp160(HIV-1)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42302(MLS000041013 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataIC50: 1.71E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetEnvelope glycoprotein gp160(HIV-1)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42302(MLS000041013 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataIC50: 1.84E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetLysosomal acid glucosylceramidase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42302(MLS000041013 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Affinity DataEC50: >5.00E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay