BDBM9618 (S)-N-(1S,2R)-[3-[2-[[1,1-Dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)-propyl]-2-(acetoxyamino)-3-(2-quinolinylsulfinyl)propanamide::D-Cysteine Analog 14b::N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-acetamido-3-(quinoline-2-sulfinyl)propanamido]-2-hydroxy-4-phenylbutyl]benzamide

SMILES CC(=O)N[C@H](CS(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C

InChI Key InChIKey=PRXUMCUDESSVFA-UHFFFAOYSA-N

Data  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 = 9618   

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

LigandPNGBDBM9618(N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-acetamido-3-(qui...)
Affinity DataIC50: 0.25nMpH: 5.5 T: 2°CAssay Description:The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2006
Entry Details Article
PubMed