BDBM3412 2-Butanol deriv. 20::N-tert-butyl-2-{4-[4-tert-butyl-2-(tert-butylcarbamoyl)phenyl]-2-hydroxybutyl}naphthalene-1-carboxamide

SMILES CC(C)(C)NC(=O)c1cc(ccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C)C(C)(C)C

InChI Key InChIKey=UKBXETHUEAFLAY-UHFFFAOYSA-N

Data  1 KI

  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 = 3412   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Agouron Pharmaceuticals

LigandPNGBDBM3412(N-tert-butyl-2-{4-[4-tert-butyl-2-(tert-butylcarba...)
Affinity DataKi:  1.20E+3nM ΔG°:  -8.40kcal/molepH: 5.6 T: 2°CAssay Description:Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2005
Entry Details Article
PubMed