BDBM2336 2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 2f::thio-DABO 5rr

SMILES Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O

InChI Key InChIKey=JDNVZVKHBJZAPU-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 2336   

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

LigandPNGBDBM2336(thio-DABO 5rr | S-DABO | 2-(cyclopentylsulfanyl)-6...)
Affinity DataIC50: 80nMpH: 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

LigandPNGBDBM2336(thio-DABO 5rr | S-DABO | 2-(cyclopentylsulfanyl)-6...)
Affinity DataIC50: 80nMAssay 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
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Sapienza University of Rome

LigandPNGBDBM2336(thio-DABO 5rr | S-DABO | 2-(cyclopentylsulfanyl)-6...)
Affinity DataIC50: 80nMAssay 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:
12/7/2004
Entry Details Article
PubMed