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Compile Data Set for Download or QSAR

Found 1300 hits Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' AND taxid = 9606   
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 (FAS)


(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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280n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant FASN thioesterase domain by fluorigenic assay


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))
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 (FAS)


(Homo sapiens (Human))
BDBM50124408
PNG
(CHEMBL2165266)
Show SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)\C(=C/c2ccc(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)/b19-13+
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380n/an/an/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase KE domain (unknown origin)


Bioorg Med Chem Lett 25: 4363-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.087
BindingDB Entry DOI: 10.7270/Q2057HR2
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(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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380n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant FASN thioesterase domain by fluorigenic assay


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))
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
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50394664
PNG
(CHEMBL2165413)
Show SMILES O=C1O[C@@H](CCc2ccccc2)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C18H18O2/c19-18-16(13-15-9-5-2-6-10-15)17(20-18)12-11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17+/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant FASN thioesterase domain by fluorigenic assay


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 (FAS)


(Homo sapiens (Human))
BDBM50241343
PNG
((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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3.40E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...


J Med Chem 58: 778-84 (2015)


Article DOI: 10.1021/jm501543u
BindingDB Entry DOI: 10.7270/Q20K2B7H
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50241342
PNG
(5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...)
Show SMILES COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
Show InChI InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
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4.10E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...


J Med Chem 58: 778-84 (2015)


Article DOI: 10.1021/jm501543u
BindingDB Entry DOI: 10.7270/Q20K2B7H
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50070208
PNG
(A-65006 | AG-1749 | CHEBI:6375 | LANSOPRAZOLE | La...)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
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5.30E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...


J Med Chem 58: 778-84 (2015)


Article DOI: 10.1021/jm501543u
BindingDB Entry DOI: 10.7270/Q20K2B7H
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50070209
PNG
(Aciphex | CHEBI:8768 | LY-307640 | RABEPRAZOLE | R...)
Show SMILES COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C
Show InChI InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
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5.90E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...


J Med Chem 58: 778-84 (2015)


Article DOI: 10.1021/jm501543u
BindingDB Entry DOI: 10.7270/Q20K2B7H
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50142502
PNG
(2-Amino-4-[(2S,3S,4R,5R)-5-(6-amino-purin-9-yl)-3,...)
Show SMILES N[C@@H](CCS(=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O6S/c15-6(14(23)24)1-2-27(25)3-7-9(21)10(22)13(26-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+,27?/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50142501
PNG
((+/-)-2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6?,7-,9-,10-,13-/m1/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM50142502
PNG
(2-Amino-4-[(2S,3S,4R,5R)-5-(6-amino-purin-9-yl)-3,...)
Show SMILES N[C@@H](CCS(=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O6S/c15-6(14(23)24)1-2-27(25)3-7-9(21)10(22)13(26-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+,27?/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50142505
PNG
(2-Amino-4-[(2S,3S,4R,5R)-5-(6-amino-purin-9-yl)-3,...)
Show SMILES N[C@@H](CCS(=O)(=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O7S/c15-6(14(23)24)1-2-28(25,26)3-7-9(21)10(22)13(27-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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1.50E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM50142502
PNG
(2-Amino-4-[(2S,3S,4R,5R)-5-(6-amino-purin-9-yl)-3,...)
Show SMILES N[C@@H](CCS(=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O6S/c15-6(14(23)24)1-2-27(25)3-7-9(21)10(22)13(26-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+,27?/m0/s1
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1.50E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50142506
PNG
((2R,3R,4S,5S)-2-(6-Amino-purin-9-yl)-5-methanesulf...)
Show SMILES CS(=O)(=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O5S/c1-22(19,20)2-5-7(17)8(18)11(21-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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2.20E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50142504
PNG
((2R,3R,4S,5S)-2-(6-Amino-purin-9-yl)-5-methanesulf...)
Show SMILES CS(=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O4S/c1-21(19)2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-,21?/m1/s1
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5.00E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM22111
PNG
((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methyl...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
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1.50E+6n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50366942
PNG
(CHEMBL540135)
Show SMILES C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H18N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15)/q+1/t6-,8-,9-,12-/m1/s1
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2.50E+6n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50291713
PNG
(((S)-3-Amino-3-carboxy-propyl)-dimethyl-sulfonium ...)
Show SMILES C[S+](C)CC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1
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1.40E+8n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50142500
PNG
((2S)-2-amino-4-(methylsulfanyl)butanoic acid | (S)...)
Show SMILES CSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
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>1.50E+8n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition constant against Escherichia coli cyclopropane fatty acid synthase


Bioorg Med Chem Lett 14: 1661-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.051
BindingDB Entry DOI: 10.7270/Q26H4HZX
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50124410
PNG
(CHEMBL3623457)
Show SMILES Fc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2ccncc2c1
Show InChI InChI=1S/C26H24FN5O2/c27-22-13-20(19-4-1-17-7-9-28-14-21(17)12-19)5-6-23(22)32-24(29-30-26(32)34)11-16-8-10-31(15-16)25(33)18-2-3-18/h1,4-7,9,12-14,16,18H,2-3,8,10-11,15H2,(H,30,34)/t16-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase (unknown origin)


Bioorg Med Chem Lett 25: 4363-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.087
BindingDB Entry DOI: 10.7270/Q2057HR2
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM128366
PNG
(US8802864, 132)
Show SMILES Fc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2cnccc2c1
Show InChI InChI=1S/C26H24FN5O2/c27-22-13-19(18-3-4-21-14-28-9-7-20(21)12-18)5-6-23(22)32-24(29-30-26(32)34)11-16-8-10-31(15-16)25(33)17-1-2-17/h3-7,9,12-14,16-17H,1-2,8,10-11,15H2,(H,30,34)/t16-/m0/s1
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n/an/a 3n/an/an/an/a7.0n/a



GlaxoSmithKline LLC

US Patent


Assay Description
Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...


US Patent US8802864 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K26
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244437
PNG
(US9428502, 46)
Show SMILES Cc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23ClN4O/c1-15-3-6-20(13-21(15)22-23(25)28-16(2)27-22)24(30)29-11-9-19(10-12-29)18-7-4-17(14-26)5-8-18/h3-8,13,19H,9-12H2,1-2H3,(H,27,28)
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n/an/a 5n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM128362
PNG
(US8802864, 42)
Show SMILES Cc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C26H27N5O2/c1-16-12-20(21-5-2-18-8-10-27-22(18)14-21)6-7-23(16)31-24(28-29-26(31)33)13-17-9-11-30(15-17)25(32)19-3-4-19/h2,5-8,10,12,14,17,19,27H,3-4,9,11,13,15H2,1H3,(H,29,33)/t17-/m0/s1
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n/an/a 5n/an/an/an/a7.0n/a



GlaxoSmithKline LLC

US Patent


Assay Description
Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...


US Patent US8802864 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K26
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50124413
PNG
(CHEMBL3623460)
Show SMILES O=C1COC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2cccc3cnccc23)CN1C1CC1
Show InChI InChI=1S/C26H27N3O4S/c30-25-17-33-26(18-29(25)21-6-7-21)11-14-28(15-12-26)34(31,32)22-8-4-19(5-9-22)23-3-1-2-20-16-27-13-10-24(20)23/h1-5,8-10,13,16,21H,6-7,11-12,14-15,17-18H2
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n/an/a 6n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase (unknown origin)


Bioorg Med Chem Lett 25: 4363-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.087
BindingDB Entry DOI: 10.7270/Q2057HR2
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50391838
PNG
(CHEMBL2147033)
Show SMILES O=C1COC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2ccc3cnccc3c2)CN1C1CC1
Show InChI InChI=1S/C26H27N3O4S/c30-25-17-33-26(18-29(25)23-5-6-23)10-13-28(14-11-26)34(31,32)24-7-3-19(4-8-24)20-1-2-22-16-27-12-9-21(22)15-20/h1-4,7-9,12,15-16,23H,5-6,10-11,13-14,17-18H2
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase


ACS Med Chem Lett 3: 612-613 (2012)


Article DOI: 10.1021/ml3001566
BindingDB Entry DOI: 10.7270/Q2ZS2XKS
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244398
PNG
(US9428502, 7)
Show SMILES Cc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H19ClN4O/c1-13-3-6-17(9-19(13)20-21(23)26-14(2)25-20)22(28)27-11-18(12-27)16-7-4-15(10-24)5-8-16/h3-9,18H,11-12H2,1-2H3,(H,25,26)
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n/an/a 6n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244404
PNG
(US9428502, 13)
Show SMILES Cc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22ClFN4O/c1-15-3-6-18(13-20(15)21-22(25)29-16(2)28-21)23(31)30-11-9-24(26,10-12-30)19-7-4-17(14-27)5-8-19/h3-8,13H,9-12H2,1-2H3,(H,28,29)
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n/an/a 6n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM128359
PNG
(US8802864, 14)
Show SMILES O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3ccoc3c2)C1
Show InChI InChI=1S/C25H24N4O3/c30-24(19-2-3-19)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-7-5-17(6-8-21)20-4-1-18-10-12-32-22(18)14-20/h1,4-8,10,12,14,16,19H,2-3,9,11,13,15H2,(H,27,31)/t16-/m0/s1
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n/an/a 6n/an/an/an/a7.0n/a



GlaxoSmithKline LLC

US Patent


Assay Description
Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...


US Patent US8802864 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K26
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244435
PNG
(US9428502, 44)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1CC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H21ClN4O/c1-14-2-5-18(10-20(14)21-22(25)28-23(27-21)17-8-9-17)24(30)29-12-19(13-29)16-6-3-15(11-26)4-7-16/h2-7,10,17,19H,8-9,12-13H2,1H3,(H,27,28)
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n/an/a 7n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244438
PNG
(US9428502, 47)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1CC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H25ClN4O/c1-16-2-5-21(14-22(16)23-24(27)30-25(29-23)20-8-9-20)26(32)31-12-10-19(11-13-31)18-6-3-17(15-28)4-7-18/h2-7,14,19-20H,8-13H2,1H3,(H,29,30)
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n/an/a 7n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM119133
PNG
((S)-4-(4-(Benzofuran-5-yl)phenyl)-3-((1-(cycloprop...)
Show SMILES O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3occc3c2)C1
Show InChI InChI=1S/C25H24N4O3/c30-24(18-1-2-18)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-6-3-17(4-7-21)19-5-8-22-20(14-19)10-12-32-22/h3-8,10,12,14,16,18H,1-2,9,11,13,15H2,(H,27,31)/t16-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Inhibition of FAS by GSK2194069 was measured by an endpoint assay for thiols using a fluorescent maleimide.


Nat Chem Biol 10: 774-9 (2014)


Article DOI: 10.1038/nchembio.1603
BindingDB Entry DOI: 10.7270/Q2FJ2FGK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50124411
PNG
(CHEMBL3623458)
Show SMILES Cn1ncc2c1nc(-c1ccc(cc1)-c1ccc3[nH]ccc3c1)n(C[C@@H]1CCN(C1)C(=O)C1CC1)c2=O
Show InChI InChI=1S/C29H28N6O2/c1-33-27-24(15-31-33)29(37)35(17-18-11-13-34(16-18)28(36)21-6-7-21)26(32-27)20-4-2-19(3-5-20)22-8-9-25-23(14-22)10-12-30-25/h2-5,8-10,12,14-15,18,21,30H,6-7,11,13,16-17H2,1H3/t18-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase (unknown origin)


Bioorg Med Chem Lett 25: 4363-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.087
BindingDB Entry DOI: 10.7270/Q2057HR2
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244581
PNG
(US9428502, 190)
Show SMILES COC(=O)N1CC(C1)c1nc(C)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O3/c1-16-4-7-20(26(33)31-12-21(13-31)19-8-5-18(11-28)6-9-19)10-23(16)24-17(2)29-25(30-24)22-14-32(15-22)27(34)35-3/h4-10,21-22H,12-15H2,1-3H3,(H,29,30)
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n/an/a 8n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244743
PNG
(US9428502, 353)
Show SMILES Cc1ccc(cc1-c1[nH]c(CCO)nc1Cl)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21ClN4O2/c1-14-2-5-17(10-19(14)21-22(24)27-20(26-21)8-9-29)23(30)28-12-18(13-28)16-6-3-15(11-25)4-7-16/h2-7,10,18,29H,8-9,12-13H2,1H3,(H,26,27)
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n/an/a 9n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244769
PNG
(US9428502, 381)
Show SMILES CO[C@H]1CC[C@@H](CC1)c1nc(c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O2/c1-17-3-6-21(28(37)36-15-22(16-36)19-7-4-18(14-33)5-8-19)13-24(17)25-26(29(30,31)32)35-27(34-25)20-9-11-23(38-2)12-10-20/h3-8,13,20,22-23H,9-12,15-16H2,1-2H3,(H,34,35)/t20-,23-
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n/an/a 9n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244632
PNG
(US9428502, 241)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1CCOCC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H25ClN4O2/c1-16-2-5-20(26(32)31-14-21(15-31)18-6-3-17(13-28)4-7-18)12-22(16)23-24(27)30-25(29-23)19-8-10-33-11-9-19/h2-7,12,19,21H,8-11,14-15H2,1H3,(H,29,30)
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n/an/a 9n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244575
PNG
(US9428502, 184)
Show SMILES COC(=O)N1CCC(CC1)c1nc(C)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H31N5O3/c1-18-4-7-23(28(35)34-16-24(17-34)21-8-5-20(15-30)6-9-21)14-25(18)26-19(2)31-27(32-26)22-10-12-33(13-11-22)29(36)37-3/h4-9,14,22,24H,10-13,16-17H2,1-3H3,(H,31,32)
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n/an/a 9n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244436
PNG
(US9428502, 45)
Show SMILES CC(C)c1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23ClN4O/c1-14(2)23-27-21(22(25)28-23)20-10-18(7-4-15(20)3)24(30)29-12-19(13-29)17-8-5-16(11-26)6-9-17/h4-10,14,19H,12-13H2,1-3H3,(H,27,28)
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n/an/a 9n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244439
PNG
(US9428502, 48)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1CC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H24ClFN4O/c1-16-2-5-19(14-21(16)22-23(27)31-24(30-22)18-6-7-18)25(33)32-12-10-26(28,11-13-32)20-8-3-17(15-29)4-9-20/h2-5,8-9,14,18H,6-7,10-13H2,1H3,(H,30,31)
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n/an/a 9n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244440
PNG
(US9428502, 49)
Show SMILES CC(C)c1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H27ClN4O/c1-16(2)25-29-23(24(27)30-25)22-14-21(7-4-17(22)3)26(32)31-12-10-20(11-13-31)19-8-5-18(15-28)6-9-19/h4-9,14,16,20H,10-13H2,1-3H3,(H,29,30)
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n/an/a 9n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244418
PNG
(US9428502, 27)
Show SMILES COCc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25ClN4O2/c1-16-3-6-20(13-21(16)23-24(26)29-22(28-23)15-32-2)25(31)30-11-9-19(10-12-30)18-7-4-17(14-27)5-8-18/h3-8,13,19H,9-12,15H2,1-2H3,(H,28,29)
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n/an/a 9n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50124414
PNG
(CHEMBL3623461)
Show SMILES O=C1COC2(CCN(CC2)S(=O)(=O)N2CCN(CC2)c2ccc3cc(ccc3c2)C#N)CN1C1CC1
Show InChI InChI=1S/C26H31N5O4S/c27-17-20-1-2-22-16-24(4-3-21(22)15-20)28-11-13-30(14-12-28)36(33,34)29-9-7-26(8-10-29)19-31(23-5-6-23)25(32)18-35-26/h1-4,15-16,23H,5-14,18-19H2
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n/an/a 10n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase (unknown origin)


Bioorg Med Chem Lett 25: 4363-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.087
BindingDB Entry DOI: 10.7270/Q2057HR2
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50391837
PNG
(CHEMBL2147032)
Show SMILES O=C1COC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2ccc3cccnc3c2)CN1C1CC1
Show InChI InChI=1S/C26H27N3O4S/c30-25-17-33-26(18-29(25)22-7-8-22)11-14-28(15-12-26)34(31,32)23-9-5-19(6-10-23)21-4-3-20-2-1-13-27-24(20)16-21/h1-6,9-10,13,16,22H,7-8,11-12,14-15,17-18H2
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase


ACS Med Chem Lett 3: 612-613 (2012)


Article DOI: 10.1021/ml3001566
BindingDB Entry DOI: 10.7270/Q2ZS2XKS
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244722
PNG
(US9428502, 332)
Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCC(O)CC1
Show InChI InChI=1S/C28H30N4O2/c1-17-3-6-22(28(34)32-15-23(16-32)20-7-4-19(14-29)5-8-20)13-25(17)26-18(2)30-27(31-26)21-9-11-24(33)12-10-21/h3-8,13,21,23-24,33H,9-12,15-16H2,1-2H3,(H,30,31)
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n/an/a 10n/an/an/an/an/a4



3-V Biosciences, Inc.

US Patent


Assay Description
The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...


US Patent US9428502 (2016)


BindingDB Entry DOI: 10.7270/Q20G3J23
More data for this
Ligand-Target Pair
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