BDBM2799 Alkenyldiarylmethane (ADAM) 46a::Alkenyldiarylmethanes (ADAM) 46a::Methyl 5-(1-[3-Chloro-4-methoxy-5-(methoxycarbonyl)phenyl]-4-{[(methylamino)thioxomethyl]amino}but-1-enyl)-3-chloro-2-methoxybenzoate::methyl 3-chloro-5-{1-[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]-4-[(methylcarbamothioyl)amino]but-1-en-1-yl}-2-methoxybenzoate

SMILES [#6]-[#7]-[#6](=S)-[#7]-[#6]-[#6]\[#6]=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]

InChI Key InChIKey=FZZAAYCKVCINDF-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 2799   

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

LigandPNGBDBM2799(methyl 3-chloro-5-{1-[3-chloro-4-methoxy-5-(methox...)
Affinity DataIC50: 1.00E+5nMAssay 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:
12/29/2004
Entry Details Article
PubMed