Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 2782   

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 [2202-2509] (Homo sapiens (Human))	BDBM24572 ((2R)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]heptan-2-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](CCCCC)OC(=O)CNC=O)OC1=O |r| Show InChI InChI=1S/C19H33NO5/c1-3-5-7-9-11-16-17(25-19(16)23)12-15(10-8-6-4-2)24-18(22)13-20-14-21/h14-17H,3-13H2,1-2H3,(H,20,21)/t15-,16+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24573 ((2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridec...) Show SMILES CCCCCCC\C=C\CC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H51NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h14-15,22-27H,5-13,16-21H2,1-4H3,(H,30,31)/b15-14+/t24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24574 ((2R)-1-[(2S,3R)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)CNC=O |r| Show InChI InChI=1S/C25H45NO5/c1-3-5-7-9-10-11-12-13-14-16-21(30-24(28)19-26-20-27)18-23-22(25(29)31-23)17-15-8-6-4-2/h20-23H,3-19H2,1-2H3,(H,26,27)/t21-,22-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24575 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]pentadeca...) Show SMILES CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r| Show InChI InChI=1S/C27H49NO5/c1-3-5-7-9-10-11-12-13-14-15-16-18-23(32-26(30)21-28-22-29)20-25-24(27(31)33-25)19-17-8-6-4-2/h22-25H,3-21H2,1-2H3,(H,28,29)/t23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24569 ((1R)-1-{[(2S,3S)-3-ethyl-4-oxooxetan-2-yl]methyl}d...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CC)OC(=O)CNC=O |r| Show InChI InChI=1S/C21H37NO5/c1-3-5-6-7-8-9-10-11-12-13-17(26-20(24)15-22-16-23)14-19-18(4-2)21(25)27-19/h16-19H,3-15H2,1-2H3,(H,22,23)/t17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24570 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CCC=C)OC(=O)[C@H](CC(C)C)NC=O)OC1=O |r| Show InChI InChI=1S/C22H37NO5/c1-5-7-9-10-12-18-20(28-21(18)25)14-17(11-8-6-2)27-22(26)19(23-15-24)13-16(3)4/h6,15-20H,2,5,7-14H2,1,3-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24576 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]pentadeca...) Show SMILES CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](Cc1ccccc1)NC=O |r| Show InChI InChI=1S/C34H55NO5/c1-3-5-7-9-10-11-12-13-14-15-19-23-29(26-32-30(33(37)40-32)24-20-8-6-4-2)39-34(38)31(35-27-36)25-28-21-17-16-18-22-28/h16-18,21-22,27,29-32H,3-15,19-20,23-26H2,1-2H3,(H,35,36)/t29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24571 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]heptan-2-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CCCCC)OC(=O)[C@@H](NC=O)C(C)C)OC1=O |r| Show InChI InChI=1S/C22H39NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h15-20H,5-14H2,1-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24577 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]-3-{[(4-m...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](COS(=O)(=O)c2ccc(C)cc2)OC(=O)CNC=O)OC1=O |r| Show InChI InChI=1S/C22H31NO8S/c1-3-4-5-6-7-19-20(31-22(19)26)12-17(30-21(25)13-23-15-24)14-29-32(27,28)18-10-8-16(2)9-11-18/h8-11,15,17,19-20H,3-7,12-14H2,1-2H3,(H,23,24)/t17-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24578 ((2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridec...) Show SMILES CCCCCCC\C=C\CC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](Cc1ccccc1)NC=O |r| Show InChI InChI=1S/C32H49NO5/c1-3-5-7-9-10-11-12-13-17-21-27(24-30-28(31(35)38-30)22-18-8-6-4-2)37-32(36)29(33-25-34)23-26-19-15-14-16-20-26/h12-16,19-20,25,27-30H,3-11,17-18,21-24H2,1-2H3,(H,33,34)/b13-12+/t27-,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24579 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]pentadeca...) Show SMILES CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](Cc1cnc[nH]1)NC=O |r| Show InChI InChI=1S/C31H53N3O5/c1-3-5-7-9-10-11-12-13-14-15-16-18-26(21-29-27(30(36)39-29)19-17-8-6-4-2)38-31(37)28(34-24-35)20-25-22-32-23-33-25/h22-24,26-29H,3-21H2,1-2H3,(H,32,33)(H,34,35)/t26-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24581 ((2R)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](CCC=C)OC(=O)CNC=O)OC1=O |r| Show InChI InChI=1S/C18H29NO5/c1-3-5-7-8-10-15-16(24-18(15)22)11-14(9-6-4-2)23-17(21)12-19-13-20/h4,13-16H,2-3,5-12H2,1H3,(H,19,20)/t14-,15+,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24580 ((2S,5E)-6-(4-fluorophenyl)-1-[(2S,3S)-3-hexyl-4-ox...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CC\C=C\c2ccc(F)cc2)OC(=O)[C@H](CC(C)C)NC=O)OC1=O |r| Show InChI InChI=1S/C28H40FNO5/c1-4-5-6-7-12-24-26(35-27(24)32)18-23(34-28(33)25(30-19-31)17-20(2)3)11-9-8-10-21-13-15-22(29)16-14-21/h8,10,13-16,19-20,23-26H,4-7,9,11-12,17-18H2,1-3H3,(H,30,31)/b10-8+/t23-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24582 ((2R)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]propan-2-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](C)OC(=O)CNC=O)OC1=O |r| Show InChI InChI=1S/C15H25NO5/c1-3-4-5-6-7-12-13(21-15(12)19)8-11(2)20-14(18)9-16-10-17/h10-13H,3-9H2,1-2H3,(H,16,17)/t11-,12+,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24583 ((2R,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hept-5...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](CC\C=C\C)OC(=O)[C@@H](NC=O)C(C)C)OC1=O |r| Show InChI InChI=1S/C22H37NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h6,8,15-20H,5,7,9-14H2,1-4H3,(H,23,24)/b8-6+/t17-,18+,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24569 ((1R)-1-{[(2S,3S)-3-ethyl-4-oxooxetan-2-yl]methyl}d...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CC)OC(=O)CNC=O |r| Show InChI InChI=1S/C21H37NO5/c1-3-5-6-7-8-9-10-11-12-13-17(26-20(24)15-22-16-23)14-19-18(4-2)21(25)27-19/h16-19H,3-15H2,1-2H3,(H,22,23)/t17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24585 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CCC=C)OC(=O)[C@H](Cc2ccccc2)NC=O)OC1=O |r| Show InChI InChI=1S/C25H35NO5/c1-3-5-7-11-15-21-23(31-24(21)28)17-20(14-6-4-2)30-25(29)22(26-18-27)16-19-12-9-8-10-13-19/h4,8-10,12-13,18,20-23H,2-3,5-7,11,14-17H2,1H3,(H,26,27)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24586 ((1R)-1-{[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]methyl}d...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r| Show InChI InChI=1S/C25H45NO5/c1-3-5-7-9-10-11-12-13-14-16-21(30-24(28)19-26-20-27)18-23-22(25(29)31-23)17-15-8-6-4-2/h20-23H,3-19H2,1-2H3,(H,26,27)/t21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24587 ((2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hept-5...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CC\C=C\C)OC(=O)[C@H](Cc2ccccc2)NC=O)OC1=O |r| Show InChI InChI=1S/C26H37NO5/c1-3-5-7-12-16-22-24(32-25(22)29)18-21(15-9-6-4-2)31-26(30)23(27-19-28)17-20-13-10-8-11-14-20/h4,6,8,10-11,13-14,19,21-24H,3,5,7,9,12,15-18H2,1-2H3,(H,27,28)/b6-4+/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24588 ((1R)-1-{[(2S,3S)-3-butyl-4-oxooxetan-2-yl]methyl}d...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCC)OC(=O)CNC=O |r| Show InChI InChI=1S/C23H41NO5/c1-3-5-7-8-9-10-11-12-13-14-19(28-22(26)17-24-18-25)16-21-20(15-6-4-2)23(27)29-21/h18-21H,3-17H2,1-2H3,(H,24,25)/t19-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24586 ((1R)-1-{[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]methyl}d...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r| Show InChI InChI=1S/C25H45NO5/c1-3-5-7-9-10-11-12-13-14-16-21(30-24(28)19-26-20-27)18-23-22(25(29)31-23)17-15-8-6-4-2/h20-23H,3-19H2,1-2H3,(H,26,27)/t21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24590 ((2S)-1-[(2S,3S)-3-octyl-4-oxooxetan-2-yl]undecan-2...) Show SMILES CCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-13-14-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-15-12-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24591 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]pentadeca...) Show SMILES CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C31H57NO5/c1-5-7-9-11-12-13-14-15-16-17-18-20-26(36-31(35)28(32-24-33)22-25(3)4)23-29-27(30(34)37-29)21-19-10-8-6-2/h24-29H,5-23H2,1-4H3,(H,32,33)/t26-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.67E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24592 ((2R,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hept-5...) Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](CC\C=C\C)OC(=O)CNC=O)OC1=O |r| Show InChI InChI=1S/C19H31NO5/c1-3-5-7-9-11-16-17(25-19(16)23)12-15(10-8-6-4-2)24-18(22)13-20-14-21/h4,6,14-17H,3,5,7-13H2,1-2H3,(H,20,21)/b6-4+/t15-,16+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.24E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24593 ((2S)-1-[(2R,3R)-3-hexyl-4-oxooxetan-2-yl]pentadeca...) Show SMILES CCCCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C31H57NO5/c1-5-7-9-11-12-13-14-15-16-17-18-20-26(36-31(35)28(32-24-33)22-25(3)4)23-29-27(30(34)37-29)21-19-10-8-6-2/h24-29H,5-23H2,1-4H3,(H,32,33)/t26-,27+,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.74E+3	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24594 ((2S)-1-[(2S,3S)-3-methyl-4-oxooxetan-2-yl]tridecan...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1C)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C24H43NO5/c1-5-6-7-8-9-10-11-12-13-14-20(16-22-19(4)23(27)30-22)29-24(28)21(25-17-26)15-18(2)3/h17-22H,5-16H2,1-4H3,(H,25,26)/t19-,20-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24595 ((2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hept-5...) Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CC\C=C\C)OC(=O)[C@@H](NC=O)C(C)C)OC1=O |r| Show InChI InChI=1S/C22H37NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h6,8,15-20H,5,7,9-14H2,1-4H3,(H,23,24)/b8-6+/t17-,18-,19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair
Fatty acid synthase [2202-2509] (Homo sapiens (Human))	BDBM24596 ((2S)-1-[(2R,3R)-3-methyl-4-oxooxetan-2-yl]tridecan...) Show SMILES CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1C)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C24H43NO5/c1-5-6-7-8-9-10-11-12-13-14-20(16-22-19(4)23(27)30-22)29-24(28)21(25-17-26)15-18(2)3/h17-22H,5-16H2,1-4H3,(H,25,26)/t19-,20+,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.51E+4	n/a	n/a	n/a	n/a	7.4	37
The Burnham Institute for Medical Research					Assay Description The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...				J Med Chem 51: 5285-96 (2008) Article DOI: 10.1021/jm800321h BindingDB Entry DOI: 10.7270/Q2NV9GJH
					More data for this Ligand-Target Pair