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]1O[C@H]1C(N)=O

InChI Key: InChIKey=GVEZIHKRYBHEFX-NQQPLRFYSA-N

Data: 10 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50009248   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Fatty acid synthase (Gallus gallus (Chicken))	BDBM50009248 ((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...) Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O |r| Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	7.0	37
Yeungnam University					Assay 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 ...				J Enzyme Inhib Med Chem 28: 565-8 (2013) Article DOI: 10.3109/14756366.2012.658786 BindingDB Entry DOI: 10.7270/Q2D21WHW
					More data for this Ligand-Target Pair
Coagulation factor XIII (Homo sapiens (Human))	BDBM50009248 ((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...) Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O |r| Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay Description Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...				Eur J Med Chem 98: 49-53 (2015) Article DOI: 10.1016/j.ejmech.2015.05.019 BindingDB Entry DOI: 10.7270/Q261121G
					More data for this Ligand-Target Pair
Coagulation factor XIII (Homo sapiens (Human))	BDBM50009248 ((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...) Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O |r| Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds Curated by ChEMBL					Assay 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 GSH				Eur J Med Chem 98: 49-53 (2015) Article DOI: 10.1016/j.ejmech.2015.05.019 BindingDB Entry DOI: 10.7270/Q261121G
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50009248 ((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...) Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O |r| Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of human FAS assessed as synthesis of long chain fatty acids from malonyl CoA after 60 mins by fluorescence assay				Bioorg Med Chem Lett 21: 5924-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.083 BindingDB Entry DOI: 10.7270/Q2MS3T5F
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50009248 ((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...) Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O |r| Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Panlabs, Inc Curated by ChEMBL					Assay Description Inhibition of FAS in human ZR-75-1 cells by spectrophotometry				J Nat Prod 66: 1041-6 (2003) Article DOI: 10.1021/np030046g BindingDB Entry DOI: 10.7270/Q2GF0X86
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50009248 ((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...) Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O |r| Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for its affinity against HIV-2 protease (in vitro)				J Med Chem 34: 2305-14 (1991) BindingDB Entry DOI: 10.7270/Q2862H21
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50009248 ((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...) Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O |r| Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of FASN in human A375 cells				J Med Chem 54: 5615-38 (2011) Article DOI: 10.1021/jm2005805 BindingDB Entry DOI: 10.7270/Q21N8261
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50009248 ((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...) Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O |r| Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of FAS				Bioorg Med Chem Lett 16: 4738-42 (2006) Article DOI: 10.1016/j.bmcl.2006.07.018 BindingDB Entry DOI: 10.7270/Q2QV3NB7
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50009248 ((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...) Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O |r| Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of fatty acid synthase				J Nat Prod 66: 39-41 (2003) Article DOI: 10.1021/np020429z BindingDB Entry DOI: 10.7270/Q2DN47VH
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50009248 ((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...) Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O |r| Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for its affinity against HIV-1 protease in vitro				J Med Chem 34: 2305-14 (1991) BindingDB Entry DOI: 10.7270/Q2862H21
					More data for this Ligand-Target Pair