Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' AND taxid = 10090   

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 (Mus musculus)	BDBM50354699 (CHEMBL1834184) Show SMILES CCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1nc2ccccc2o1 |r| Show InChI InChI=1S/C23H25N3O3/c1-3-21(27)24-17-11-8-16(14-17)23(28)26(2)18-12-9-15(10-13-18)22-25-19-6-4-5-7-20(19)29-22/h4-7,9-10,12-13,16-17H,3,8,11,14H2,1-2H3,(H,24,27)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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 FAS in mouse N42 cells assessed as [14C]-acetate incorporation after 4 hrs by scintillation counting				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 (Mus musculus)	BDBM50525840 (CHEMBL4577339) Show SMILES COc1ccc(cc1)C(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C14H16O5/c1-14(2)8-18-13(16)11(14)19-12(15)9-4-6-10(17-3)7-5-9/h4-7,11H,8H2,1-3H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525849 (CHEMBL477382) Show SMILES CCCCCCCCC1OC(=O)C(=C)C1C(O)=O Show InChI InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525843 (CHEMBL4585660) Show SMILES CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C19H20O10/c1-9(20)26-13-6-12(7-14(27-10(2)21)15(13)28-11(3)22)17(23)29-16-18(24)25-8-19(16,4)5/h6-7,16H,8H2,1-5H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525845 (CHEMBL4565424) Show SMILES CCCCCCCCCCCC(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C18H32O4/c1-4-5-6-7-8-9-10-11-12-13-15(19)22-16-17(20)21-14-18(16,2)3/h16H,4-14H2,1-3H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525841 (CHEMBL4520864) Show SMILES Cc1ccc(cc1)C(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C14H16O4/c1-9-4-6-10(7-5-9)12(15)18-11-13(16)17-8-14(11,2)3/h4-7,11H,8H2,1-3H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525835 (CHEMBL4466327) Show SMILES CC1(C)COC(=O)[C@@H]1OC(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C13H13ClO4/c1-13(2)7-17-12(16)10(13)18-11(15)8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525847 (CHEMBL4570670) Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)26-20-21(24)25-18-22(20,2)3/h20H,4-18H2,1-3H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525838 (CHEMBL4466492) Show SMILES CCCCCCCC(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C14H24O4/c1-4-5-6-7-8-9-11(15)18-12-13(16)17-10-14(12,2)3/h12H,4-10H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525842 (CHEMBL4593466) Show SMILES CC1(C)COC(=O)[C@@H]1OC(=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C14H13NO4/c1-14(2)8-18-13(17)11(14)19-12(16)10-5-3-9(7-15)4-6-10/h3-6,11H,8H2,1-2H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525839 (CHEMBL4453265) Show SMILES CC1(C)COC(=O)[C@@H]1OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C13H14O4/c1-13(2)8-16-12(15)10(13)17-11(14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525837 (CHEMBL4561394) Show SMILES CCCCCC(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C12H20O4/c1-4-5-6-7-9(13)16-10-11(14)15-8-12(10,2)3/h10H,4-8H2,1-3H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525848 (CHEMBL4459981) Show SMILES CCCCc1ccc(cc1)C(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C17H22O4/c1-4-5-6-12-7-9-13(10-8-12)15(18)21-14-16(19)20-11-17(14,2)3/h7-10,14H,4-6,11H2,1-3H3/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525836 (CHEMBL4446520) Show SMILES CCCC(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C10H16O4/c1-4-5-7(11)14-8-9(12)13-6-10(8,2)3/h8H,4-6H2,1-3H3/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525844 (CHEMBL4568458) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C19H26O4/c1-12(2)10-14-6-8-15(9-7-14)13(3)17(20)23-16-18(21)22-11-19(16,4)5/h6-9,12-13,16H,10-11H2,1-5H3/t13?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair
Fatty acid synthase (Mus musculus)	BDBM50525846 (CHEMBL4580191) Show SMILES CC(=O)O[C@H]1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C8H12O4/c1-5(9)12-6-7(10)11-4-8(6,2)3/h6H,4H2,1-3H3/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Third Institute of Oceanography Curated by ChEMBL					Assay Description Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured afte...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115069 BindingDB Entry DOI: 10.7270/Q2SX6HN2
					More data for this Ligand-Target Pair