BDBM1030 CHEMBL296115::L-685,434::Urethane deriv. 1::tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=ZJBUCZFZQXPYFC-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 1030   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Sharp and Dohme Research Laboratories

LigandPNGBDBM1030(tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1...)
Affinity DataIC50: 0.300nMpH: 5.5 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2004
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Sharp and Dohme Research Laboratories

LigandPNGBDBM1030(tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1...)
Affinity DataIC50: 0.350nMpH: 5.5 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2004
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Sharp and Dohme Research Laboratories

LigandPNGBDBM1030(tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1...)
Affinity DataIC50: 0.230nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/13/2004
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Sharp and Dohme Research Laboratories

LigandPNGBDBM1030(tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1...)
Affinity DataIC50: 0.300nMpH: 5.5 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/31/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM1030(tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1...)
Affinity DataIC50: 0.25nMAssay Description:In vitro inhibition of HIV-1 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)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM1030(tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1...)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM1030(tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1...)
Affinity DataIC50: 0.25nMAssay Description:Inhibitory activity against HIV-1 protease.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM1030(tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1...)
Affinity DataIC50: 252nMAssay Description:Inhibitory potency against HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed