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Compile Data Set for Download or QSAR

Found 46 hits of ph data with Target = 'Fatty Acid Synthase'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24567
PNG
((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
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
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PubMed
n/an/a 1.35E+3n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24569
PNG
((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
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
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n/an/a 230n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24983
PNG
((3S,4S)-3-hexyl-4-[(2S)-2-hydroxyheptyl]azetidin-2...)
Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](O)CCCCC)NC1=O
Show InChI InChI=1S/C16H31NO2/c1-3-5-7-9-11-14-15(17-16(14)19)12-13(18)10-8-6-4-2/h13-15,18H,3-12H2,1-2H3,(H,17,19)/t13-,14-,15-/m0/s1
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n/an/a 6.76E+4n/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24982
PNG
((2S)-1-[(2S,3S)-1-(benzyloxy)-3-hexyl-4-oxoazetidi...)
Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CCCCC)OC(=O)[C@@H](NC=O)C(C)C)N(OCc2ccccc2)C1=O
Show InChI InChI=1S/C29H46N2O5/c1-5-7-9-14-18-25-26(31(28(25)33)35-20-23-15-12-10-13-16-23)19-24(17-11-8-6-2)36-29(34)27(22(3)4)30-21-32/h10,12-13,15-16,21-22,24-27H,5-9,11,14,17-20H2,1-4H3,(H,30,32)/t24-,25-,26-,27-/m0/s1
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n/an/a 5.82E+4n/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24981
PNG
((3S,4S)-1-(benzyloxy)-3-hexyl-4-[(2S)-2-hydroxyhep...)
Show SMILES CCCCCC[C@H]1[C@H](C[C@@H](O)CCCCC)N(OCc2ccccc2)C1=O
Show InChI InChI=1S/C23H37NO3/c1-3-5-7-12-16-21-22(17-20(25)15-9-6-4-2)24(23(21)26)27-18-19-13-10-8-11-14-19/h8,10-11,13-14,20-22,25H,3-7,9,12,15-18H2,1-2H3/t20-,21-,22-/m0/s1
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n/an/a 5.05E+4n/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24980
PNG
((2R)-1-[(2R,3R)-1-(benzyloxy)-3-hexyl-4-oxoazetidi...)
Show SMILES CCCCCCCCCCC[C@H](C[C@@H]1[C@@H](CCCCCC)C(=O)N1OCc1ccccc1)OC(=O)CNC=O
Show InChI InChI=1S/C32H52N2O5/c1-3-5-7-9-10-11-12-13-17-21-28(39-31(36)24-33-26-35)23-30-29(22-18-8-6-4-2)32(37)34(30)38-25-27-19-15-14-16-20-27/h14-16,19-20,26,28-30H,3-13,17-18,21-25H2,1-2H3,(H,33,35)/t28-,29-,30-/m1/s1
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n/an/a 3.92E+4n/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24570
PNG
((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
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
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n/an/a 280n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24571
PNG
((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
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
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n/an/a 300n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24572
PNG
((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
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
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n/an/a 100n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24573
PNG
((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
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
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n/an/a 120n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24574
PNG
((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
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
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n/an/a 180n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24575
PNG
((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
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
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n/an/a 210n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24576
PNG
((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
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
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n/an/a 290n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24577
PNG
((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
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
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n/an/a 370n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24578
PNG
((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
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
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n/an/a 400n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24579
PNG
((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
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
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n/an/a 450n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24580
PNG
((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
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
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n/an/a 500n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24581
PNG
((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
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
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n/an/a 500n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24582
PNG
((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
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
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n/an/a 520n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24583
PNG
((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
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
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n/an/a 680n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24569
PNG
((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
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
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n/an/a 790n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24585
PNG
((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
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
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n/an/a 900n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24586
PNG
((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
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
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n/an/a 1.02E+3n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24587
PNG
((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
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
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n/an/a 1.04E+3n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24588
PNG
((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
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
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n/an/a 1.35E+3n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24586
PNG
((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
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
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n/an/a 1.72E+3n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24590
PNG
((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
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
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n/an/a 3.00E+3n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24591
PNG
((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
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
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n/an/a 3.67E+3n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24592
PNG
((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
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
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n/an/a 6.24E+3n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24593
PNG
((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
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
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n/an/a 9.74E+3n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24594
PNG
((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
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
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n/an/a 1.08E+4n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24595
PNG
((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
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
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n/an/a 1.35E+4n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24596
PNG
((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
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
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n/an/a 4.51E+4n/an/an/an/a7.437



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


(Homo sapiens (human))
BDBM24972
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxoazetidin-2-yl]trideca...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1NC(=O)[C@H]1CCCCCC)OC(=O)CNC=O
Show InChI InChI=1S/C25H46N2O4/c1-3-5-7-9-10-11-12-13-14-16-21(31-24(29)19-26-20-28)18-23-22(25(30)27-23)17-15-8-6-4-2/h20-23H,3-19H2,1-2H3,(H,26,28)(H,27,30)/t21-,22-,23-/m0/s1
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n/an/an/an/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24973
PNG
((2R)-1-[(2R,3R)-3-hexyl-4-oxoazetidin-2-yl]trideca...)
Show SMILES CCCCCCCCCCC[C@H](C[C@H]1NC(=O)[C@@H]1CCCCCC)OC(=O)CNC=O
Show InChI InChI=1S/C25H46N2O4/c1-3-5-7-9-10-11-12-13-14-16-21(31-24(29)19-26-20-28)18-23-22(25(30)27-23)17-15-8-6-4-2/h20-23H,3-19H2,1-2H3,(H,26,28)(H,27,30)/t21-,22-,23-/m1/s1
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n/an/an/an/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24974
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxoazetidin-2-yl]heptan-...)
Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CCCCC)OC(=O)[C@@H](NC=O)C(C)C)NC1=O
Show InChI InChI=1S/C22H40N2O4/c1-5-7-9-11-13-18-19(24-21(18)26)14-17(12-10-8-6-2)28-22(27)20(16(3)4)23-15-25/h15-20H,5-14H2,1-4H3,(H,23,25)(H,24,26)/t17-,18-,19-,20-/m0/s1
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n/an/an/an/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24975
PNG
((3S,4S)-1-(benzyloxy)-4-[(2S)-2-[(tert-butyldimeth...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1)O[Si](C)(C)C(C)(C)C
Show InChI InChI=1S/C35H63NO3Si/c1-8-10-12-14-15-16-17-18-22-26-31(39-40(6,7)35(3,4)5)28-33-32(27-23-13-11-9-2)34(37)36(33)38-29-30-24-20-19-21-25-30/h19-21,24-25,31-33H,8-18,22-23,26-29H2,1-7H3/t31-,32-,33-/m0/s1
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n/an/a 8.60E+3n/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24976
PNG
((3R,4R)-1-(benzyloxy)-4-[(2R)-2-[(tert-butyldimeth...)
Show SMILES CCCCCCCCCCC[C@H](C[C@@H]1[C@@H](CCCCCC)C(=O)N1OCc1ccccc1)O[Si](C)(C)C(C)(C)C
Show InChI InChI=1S/C35H63NO3Si/c1-8-10-12-14-15-16-17-18-22-26-31(39-40(6,7)35(3,4)5)28-33-32(27-23-13-11-9-2)34(37)36(33)38-29-30-24-20-19-21-25-30/h19-21,24-25,31-33H,8-18,22-23,26-29H2,1-7H3/t31-,32-,33-/m1/s1
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n/an/a 9.74E+4n/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24977
PNG
((3S,4S)-1-(benzyloxy)-3-hexyl-4-[(2S)-2-hydroxytri...)
Show SMILES CCCCCCCCCCC[C@H](O)C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1
Show InChI InChI=1S/C29H49NO3/c1-3-5-7-9-10-11-12-13-17-21-26(31)23-28-27(22-18-8-6-4-2)29(32)30(28)33-24-25-19-15-14-16-20-25/h14-16,19-20,26-28,31H,3-13,17-18,21-24H2,1-2H3/t26-,27-,28-/m0/s1
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n/an/a 8.68E+4n/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24978
PNG
((3R,4R)-1-(benzyloxy)-3-hexyl-4-[(2R)-2-hydroxytri...)
Show SMILES CCCCCCCCCCC[C@@H](O)C[C@@H]1[C@@H](CCCCCC)C(=O)N1OCc1ccccc1
Show InChI InChI=1S/C29H49NO3/c1-3-5-7-9-10-11-12-13-17-21-26(31)23-28-27(22-18-8-6-4-2)29(32)30(28)33-24-25-19-15-14-16-20-25/h14-16,19-20,26-28,31H,3-13,17-18,21-24H2,1-2H3/t26-,27-,28-/m1/s1
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n/an/a 6.12E+4n/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24979
PNG
((2S)-1-[(2S,3S)-1-(benzyloxy)-3-hexyl-4-oxoazetidi...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1)OC(=O)CNC=O
Show InChI InChI=1S/C32H52N2O5/c1-3-5-7-9-10-11-12-13-17-21-28(39-31(36)24-33-26-35)23-30-29(22-18-8-6-4-2)32(37)34(30)38-25-27-19-15-14-16-20-27/h14-16,19-20,26,28-30H,3-13,17-18,21-25H2,1-2H3,(H,33,35)/t28-,29-,30-/m0/s1
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n/an/a 6.89E+4n/an/an/an/a7.437



Texas A&M University



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 ...


Bioorg Med Chem Lett 18: 2491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.043
BindingDB Entry DOI: 10.7270/Q2K072K0
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24988
PNG
(1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formam...)
Show SMILES CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O
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)
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300 -38.7n/an/an/an/an/a7.537



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 ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24984
PNG
((5E)-1-(3,5-dimethylphenyl)-5-[(5-phenylfuran-2-yl...)
Show SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)-c2ccccc2)C1=O
Show InChI InChI=1S/C23H18N2O4/c1-14-10-15(2)12-17(11-14)25-22(27)19(21(26)24-23(25)28)13-18-8-9-20(29-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,26,28)
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380 -38.1n/an/an/an/an/a7.537



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 ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24987
PNG
((5E)-1-benzyl-5-{[5-(2-chlorophenyl)furan-2-yl]met...)
Show SMILES Clc1ccccc1-c1ccc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)o1
Show InChI InChI=1S/C22H15ClN2O4/c23-18-9-5-4-8-16(18)19-11-10-15(29-19)12-17-20(26)24-22(28)25(21(17)27)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26,28)/b17-12+
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850 -36.0n/an/an/an/an/a7.537



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 ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24986
PNG
((5E)-1-(3-bromophenyl)-5-{[5-(2-nitrophenyl)furan-...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)o1
Show InChI InChI=1S/C21H12BrN3O6/c22-12-4-3-5-13(10-12)24-20(27)16(19(26)23-21(24)28)11-14-8-9-18(31-14)15-6-1-2-7-17(15)25(29)30/h1-11H,(H,23,26,28)
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880 -36.0n/an/an/an/an/a7.537



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 ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (human))
BDBM24985
PNG
((5E)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}...)
Show SMILES Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(o2)-c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C22H15FN2O4/c1-13-4-2-3-5-18(13)25-21(27)17(20(26)24-22(25)28)12-16-10-11-19(29-16)14-6-8-15(23)9-7-14/h2-12H,1H3,(H,24,26,28)
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910 -35.9n/an/an/an/an/a7.537



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 ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair