BDBM50096449 (S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy-4-{(S)-3-methyl-2-[2-((S)-phenylmethoxycarbonylamino)-propionylamino]-butyrylamino}-5-phenyl-pentylcarbamoyl)-2-methyl-propylamino]-propionic acid benzyl ester::CHEMBL305458

SMILES CC(C)[C@@H](N[C@@H](C)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C

InChI Key InChIKey=FXHUVTFENQWEEA-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 50096449   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50096449((S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy...)
Affinity DataIC50: 4nMAssay Description:Inhibitory concentration against human immunodeficiency virus (HIV) proteaseMore 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)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50096449((S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy...)
Affinity DataIC50: 15nMAssay Description:Inhibitory concentration against drug-resistant HIV(V82F) mutant proteaseMore 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)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50096449((S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy...)
Affinity DataIC50: 16nMAssay Description:Inhibitory concentration against TL3-resistant HIV(V82A) mutantMore 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)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50096449((S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy...)
Affinity DataIC50: 21nMAssay Description:Inhibitory concentration against drug-resistant HIV(G48V) mutant proteaseMore 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)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50096449((S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy...)
Affinity DataIC50: 144nMAssay Description:Inhibitory concentration against TL3-resistant HIV(V771) mutant proteaseMore 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)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50096449((S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy...)
Affinity DataIC50: 144nMAssay Description:Inhibitory concentration against TL3-resistant HIV(F53L) mutant proteaseMore 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)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50096449((S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy...)
Affinity DataIC50: 144nMAssay Description:Inhibitory concentration against TL3-resistant HIV(L63P) mutant proteaseMore 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)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50096449((S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy...)
Affinity DataIC50: 144nMAssay Description:Inhibitory concentration against TL3-resistant HIV(M461) mutant proteaseMore 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)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50096449((S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy...)
Affinity DataIC50: 144nMAssay Description:Inhibitory concentration against TL3-resistant HIV(L241) mutant proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed