BDBM50127975 (R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chroman-4-ylcarbamoyl)-5-phenyl-pentanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid 2,6-dimethyl-benzylamide::(R)-N-(2,6-dimethylbenzyl)-3-((2S,4R)-4-benzyl-2-hydroxy-5-((3S,4S)-3-hydroxychroman-4-ylamino)-5-oxopentanoyl)-5,5-dimethylthiazolidine-4-carboxamide::CHEMBL298393

SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12

InChI Key InChIKey=SNSQMJFLZPJQFY-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50127975   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50127975((R)-N-(2,6-dimethylbenzyl)-3-((2S,4R)-4-benzyl-2-h...)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of HIV protease of HIV K-60C mutant strainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50127975((R)-N-(2,6-dimethylbenzyl)-3-((2S,4R)-4-benzyl-2-h...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of HIV protease of HIV V-18C mutant strainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50127975((R)-N-(2,6-dimethylbenzyl)-3-((2S,4R)-4-benzyl-2-h...)
Affinity DataIC50: 0.280nMAssay Description:Inhibition of wild type HIV proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50127975((R)-N-(2,6-dimethylbenzyl)-3-((2S,4R)-4-benzyl-2-h...)
Affinity DataIC50: 0.0300nMAssay Description:Inhibition of wild type HIV1 NL4-3 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed