BDBM2901 4,1-Benzoxazepinone analogue 1b::5-(but-1-yn-1-yl)-7-chloro-5-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-2-one

SMILES CCC#CC1(OCC(=O)Nc2ccc(Cl)cc12)C(F)(F)F

InChI Key InChIKey=OQDAUOCJFHPSRU-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2901   

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

LigandPNGBDBM2901(5-(but-1-yn-1-yl)-7-chloro-5-(trifluoromethyl)-1,2...)
Affinity DataIC50: 964nMpH: 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