BDBM13925 (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl N-[(2S,3R)-3-hydroxy-4-{[4-(hydroxymethyl)benzene](2-methylpropyl)sulfonamido}-1-phenylbutan-2-yl]carbamate::GRL-06579A::hexahydrocyclopenta[b]furanyl urethane analog 3

SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C[C@@H]2CCO[C@@H]2C1)S(=O)(=O)c1ccc(CO)cc1

InChI Key InChIKey=VYBDPVQMILRSMK-UHFFFAOYSA-N

Data  3 KI  1 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 = 13925   

TargetProtease(Human immunodeficiency virus type 1)
Kumamoto University Graduate School of Medical and Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM13925(GRL-06579A | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[...)
Affinity DataKi:  0.00350nMAssay Description:Inhibition of HIV1 protease dimerization in MT2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2020
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Purdue University

LigandPNGBDBM13925(GRL-06579A | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[...)
Affinity DataKi:  0.00450nM ΔG°:  -15.5kcal/molepH: 6.4 T: 2°CAssay Description:The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2007
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kumamoto University Graduate School of Medical and Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM13925(GRL-06579A | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[...)
Affinity DataKi:  0.00500nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Kumamoto University Graduate School of Medical and Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM13925(GRL-06579A | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[...)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2020
Entry Details Article
PubMed