BDBM2800 4-(N-Isobutyloxycarbonyl)amino-3,3-dichloro-4,4-dimethoxy-5,5-bis(methoxycarbonyl)-1,1-diphenylbutene::Alkenyldiarylmethane (ADAM) 47a::Alkenyldiarylmethanes (ADAM) 47a::methyl 3-chloro-5-{1-[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]-4-{[(2-methylpropoxy)carbonyl]amino}but-1-en-1-yl}-2-methoxybenzoate

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

InChI Key InChIKey=SEXSWCUYNQBSSI-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 = 2800   

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

LigandPNGBDBM2800(Alkenyldiarylmethane (ADAM) 47a | 4-(N-Isobutyloxy...)
Affinity DataIC50: 6.54E+4nMAssay 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