BDBM8118 Hydroxyethylene Sulfone 17b-::N-[(2R,3S,5R)-1-(3-bromophenyl)-5-[(4-fluorobenzene)sulfonyl]-3-hydroxy-7-methyloctan-2-yl]-2-(2,6-dimethylphenoxy)acetamide::N-{(1R,2S,4R)-1-(3-bromobenzyl)-4-[(4-fluorophenyl)sulfonyl]-2-hydroxy-6-methylheptyl}-2-(2,6-dimethylphenoxy)acetamide

SMILES CC(C)C[C@H](C[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1

InChI Key InChIKey=RVHWPGAHEOLZNT-UHFFFAOYSA-N

Data  1 KI  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 = 8118   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Philipps-Universitat Marburg

LigandPNGBDBM8118(N-[(2R,3S,5R)-1-(3-bromophenyl)-5-[(4-fluorobenzen...)
Affinity DataKi:  1.40E+3nM ΔG°:  -7.98kcal/mole IC50: 2.00E+3nMpH: 5.5 T: 2°CAssay Description:The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2006
Entry Details Article
PubMed