BDBM12878 (5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-methoxyphenyl)sulfonyl]amino]propyl]-2-oxooxazolidine-5-carboxamide::(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide::N-Aryl-oxazolidinone-5-carboxamide Analogue 21f

SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O

InChI Key InChIKey=BUJKGFQFFGUYEM-YPKYBTACSA-N

Data  6 KI

PDB links: 1 PDB ID matches this monomer.

  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 6 hits for monomerid = 12878   

TargetHIV-1 protease(Human immunodeficiency virus)
Umbi

Curated by ChEMBL
LigandPNGBDBM12878((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...)
Affinity DataKi:  0.00398nMAssay Description:Inhibition of HIV1 protease Q7K mutant by FRET methodMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q496K](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

LigandPNGBDBM12878((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...)
Affinity DataKi:  0.00400nM ΔG°:  -15.8kcal/molepH: 4.7 T: 2°CAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Umbi

Curated by ChEMBL
LigandPNGBDBM12878((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...)
Affinity DataKi:  0.00400nMAssay Description:Inhibition of HIV1 protease Q7K mutant by FRET methodMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

LigandPNGBDBM12878((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...)
Affinity DataKi:  0.179nM ΔG°:  -13.5kcal/molepH: 4.7 T: 2°CAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

LigandPNGBDBM12878((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...)
Affinity DataKi:  0.780nM ΔG°:  -12.6kcal/molepH: 4.7 T: 2°CAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M](Human immunodeficiency virus type 1)
University of Massachusetts Medical School

LigandPNGBDBM12878((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...)
Affinity DataKi:  1.94nM ΔG°:  -12.1kcal/molepH: 4.7 T: 2°CAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair