BDBM2357 2-(butan-2-ylsulfanyl)-6-[(4-nitrophenyl)methyl]-3,4-dihydropyrimidin-4-one::3,4-Dihydro-2-(1-methylpropylthio)-6-(4-nitrophenylmethyl)pyrimidin-4(3H)-one::S-DABO::thio-DABO 5i

SMILES CCC(C)Sc1nc(Cc2ccc(cc2)[N+]([O-])=O)cc(=O)[nH]1

InChI Key InChIKey=BKZLLLDAYWXMHJ-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 2357   

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

LigandPNGBDBM2357(S-DABO | 2-(butan-2-ylsulfanyl)-6-[(4-nitrophenyl)...)
Affinity DataIC50: 1.20E+3nMpH: 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:
11/23/2004
Entry Details Article
PubMed