BDBM3396 2-Butanol deriv. 3::N-tert-Butyl-2-{3-[[2-[(2,2-dimethylpropionyl)amino]phenyl]sulfanyl]-2-hydroxypropyl}benzamide::N-tert-butyl-2-(3-{[2-(2,2-dimethylpropanamido)phenyl]sulfanyl}-2-hydroxypropyl)benzamide::diarylbutanol deriv. 3

SMILES CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1NC(=O)C(C)(C)C

InChI Key InChIKey=PKEKSGJEJIRAGU-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 2 hits for monomerid = 3396   

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

LigandPNGBDBM3396(N-tert-butyl-2-(3-{[2-(2,2-dimethylpropanamido)phe...)
Affinity DataIC50: 2.00E+5nMpH: 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
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Agouron Pharmaceuticals

LigandPNGBDBM3396(N-tert-butyl-2-(3-{[2-(2,2-dimethylpropanamido)phe...)
Affinity DataKi: >1.00E+5nM ΔG°: >-5.67kcal/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:
2/26/2005
Entry Details Article
PubMed