BDBM8122 (2R)-N-[(2R,3S,5R)-1-(3-bromophenyl)-7-(2,4-dichlorophenyl)-5-[(4-fluorobenzene)sulfonyl]-3-hydroxyheptan-2-yl]oxolane-2-carboxamide::(2R)-N-{(1R,2S,4R)-1-(3-bromobenzyl)-6-(2,4-dichlorophenyl)-4-[(4-fluorophenyl)sulfonyl]-2-hydroxyhexyl}tetrahydrofuran-2-carboxamide::Hydroxyethylene Sulfone 17e-

SMILES O[C@@H](C[C@@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CCCO1

InChI Key InChIKey=LYWBGGSQPWBNEU-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 = 8122   

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

LigandPNGBDBM8122((2R)-N-{(1R,2S,4R)-1-(3-bromobenzyl)-6-(2,4-dichlo...)
Affinity DataKi: >4.00E+4nM ΔG°: >-6.00kcal/mole IC50: 4.00E+4nMpH: 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