Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM50009248'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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
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
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 (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
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	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