BDBM2921 (3S,5S)-5-[(E)-2-cyclopropylethenyl]-6,7-difluoro-3-methyl-5-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-2-one::4,1-Benzoxazepinone analogue 2q

SMILES C[C@@H]1O[C@@](\C=C\C2CC2)(c2c(NC1=O)ccc(F)c2F)C(F)(F)F

InChI Key InChIKey=YLCLGDNMRKSMDS-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 2921   

TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM2921((3S,5S)-5-[(E)-2-cyclopropylethenyl]-6,7-difluoro-...)
Affinity DataIC50: 173nMpH: 8.2 T: 2°CAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2004
Entry Details Article
PubMed