BDBM563 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-[(tert-butylamino)carbonyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropylcarbamate::(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::CHEMBL315403::Isoquinoline furanyl urethane analog. 3::urethane analog 2

SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12

InChI Key InChIKey=LQBLSQUSWJJCSP-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 563   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Illinois At Chicago

LigandPNGBDBM563((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50: 1.80nMpH: 5.5 T: 2°CAssay Description:The IC50 values for the compounds were determined using purified HIV-1 Protease. Inhibition of the cleavage of the peptide H-Val-Ser-Gln-Asn-(L-beta-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2004
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM563((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50: 1.80nMAssay Description:Tested for inhibitory activity against HIV protease enzymeMore 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
LigandPNGBDBM563((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50: 1.80nMAssay Description:Tested for inhibitory activity against HIV protease enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
University of Illinois At Chicago

LigandPNGBDBM563((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  2nM ΔG°:  -11.9kcal/molepH: 6.4 T: 2°CAssay Description:The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2006
Entry Details Article
PubMed