BDBM50009248 (2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-carboxylic acid amide::(2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)oxirane-2-carboxamide::3-Nona-4,7-dienoyl-oxirane-2-carboxylic acid amide::3-Nona-4,7-dienoyl-oxirane-2-carboxylic acid amide(Cerulenin)::CERULENIN::CHEMBL45627

SMILES C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N

InChI Key InChIKey=GVEZIHKRYBHEFX-UHFFFAOYSA-N

Data  10 IC50

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 10 hits for monomerid = 50009248   

TargetFatty acid synthase(Chicken)
Yeungnam University

LigandPNGBDBM50009248(CHEMBL45627 | (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)...)
Affinity DataIC50: 1.30E+4nMpH: 7.0 T: 2°CAssay Description:To each microtube (final volume: 100 μL), FAS was added (20-30 μg protein) in a buffer containing 100 mM potassium phosphate (pH 7.0), 2.5 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2017
Entry Details Article
PubMed
TargetCoagulation factor XIII A chain(Human)
University of Leeds

Curated by ChEMBL
LigandPNGBDBM50009248(CHEMBL45627 | (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMed
TargetCoagulation factor XIII A chain(Human)
University of Leeds

Curated by ChEMBL
LigandPNGBDBM50009248(CHEMBL45627 | (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of F13-A in human plasma assessed as inhibition of fibrin clot formation by biotin incorporation assay in presence of 1 mM reduced GSHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMed
TargetFatty acid synthase(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50009248(CHEMBL45627 | (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)...)
Affinity DataIC50: 5.80E+3nMAssay Description:Inhibition of human FAS assessed as synthesis of long chain fatty acids from malonyl CoA after 60 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009248(CHEMBL45627 | (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)...)
Affinity DataIC50: 2.50E+3nMAssay Description:The compound was tested for its affinity against HIV-1 protease in vitroMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetGenome polyprotein(Human rhinovirus B)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009248(CHEMBL45627 | (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)...)
Affinity DataIC50: 2.50E+6nMAssay Description:The compound was tested for its affinity against HIV-2 protease (in vitro)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetFatty acid synthase(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50009248(CHEMBL45627 | (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)...)
Affinity DataIC50: 2.19E+4nMAssay Description:Inhibition of FASN in human A375 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetFatty acid synthase(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50009248(CHEMBL45627 | (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)...)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of FASMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMed
TargetFatty acid synthase(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50009248(CHEMBL45627 | (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)...)
Affinity DataIC50: 850nMAssay Description:Inhibition of fatty acid synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2020
Entry Details Article
PubMed
TargetFatty acid synthase(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50009248(CHEMBL45627 | (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)...)
Affinity DataIC50: 2.23E+3nMAssay Description:Inhibition of FAS in human ZR-75-1 cells by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2020
Entry Details Article
PubMed