BDBM2335 2-(butan-2-ylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 2e::thio-DABO 5qq

SMILES CCC(C)Sc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1

InChI Key InChIKey=QDMNPIRGCSJFLT-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 2335   

TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Sapienza University of Rome

LigandPNGBDBM2335(thio-DABO 5qq | S-DABO | 2-(butan-2-ylsulfanyl)-6-...)
Affinity DataIC50: 50nMpH: 7.8 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:
11/22/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Sapienza University of Rome

LigandPNGBDBM2335(thio-DABO 5qq | S-DABO | 2-(butan-2-ylsulfanyl)-6-...)
Affinity DataIC50: 50nMAssay 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:
11/23/2004
Entry Details Article
PubMed