BDBM3116 2-[2-(6-chloro-4-cyclopropyl-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)ethynyl]benzonitrile::3,4-Dihydroquinazolinon 4j

SMILES Clc1ccc2NC(=O)NC(C#Cc3ccccc3C#N)(C3CC3)c2c1

InChI Key InChIKey=FMYUTKMVQXUAHS-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 = 3116   

TargetGag-Pol polyprotein [588-1027]/[588-1147](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM3116(2-[2-(6-chloro-4-cyclopropyl-2-oxo-1,2,3,4-tetrahy...)
Affinity DataIC50: 10.8nMpH: 8.2Assay 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:
1/24/2005
Entry Details Article
PubMed