BDBM793 (2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[2-(naphthalen-1-yloxy)acetamido]butanediamide::KNI-174::Noa-Asn-Apns-Dmt-NH-tBu

SMILES CC(C)(C)NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12

InChI Key InChIKey=UFSMRNQSQSGJII-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 = 793   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM793(Noa-Asn-Apns-Dmt-NH-tBu | (2S)-N-[(2S,3S)-4-[(4R)-...)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Cancer Institute-Bethesda

LigandPNGBDBM793(Noa-Asn-Apns-Dmt-NH-tBu | (2S)-N-[(2S,3S)-4-[(4R)-...)
Affinity DataKi:  0.00680nM ΔG°:  -15.8kcal/molepH: 6.2 T: 2°CAssay Description:Inhibition constants were determined by a fluorometric assay with the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Lys(DABCYL)-Ar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/17/2004
Entry Details Article
PubMed