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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' AND taxid = 9031   
Target
(Institution)
LigandTarget
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


(Gallus gallus (Chicken))
BDBM50362887
PNG
(AVICULARIN)
Show SMILES OC[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Show InChI InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-24,26-28H,6H2/t13-,15-,17+,20-/m0/s1
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n/an/a 6.15E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50318454
PNG
(CHEMBL123040 | Diallyl trisulfide | diallyltrisulf...)
Show SMILES C=CCSSSCC=C
Show InChI InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
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n/an/a 8.37E+3n/an/an/an/a7.037



Graduate University of Chinese Academy of Sciences



Assay Description
FAS activity was determined by monitoring the decrease in absorbence at 340 nm resulting from the oxidation of NADPH using an Amersham Pharmacia Ultr...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50318454
PNG
(CHEMBL123040 | Diallyl trisulfide | diallyltrisulf...)
Show SMILES C=CCSSSCC=C
Show InChI InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
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n/an/a 8.37E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM240798
PNG
(Ginkgolic acid C17:2 (2))
Show SMILES CCCCC\C=C\C\C=C\CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h6-7,9-10,17,19-20,25H,2-5,8,11-16,18H2,1H3,(H,26,27)/b7-6+,10-9+
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n/an/a 9.20E+3n/an/an/an/a7.037



Yeungnam University



Assay Description
To each microtube (final volume: 100 μL), FAS was added (20-30 μg protein) in a buffer containing 100 mM potassium phosphate (pH 7.0), 2.5 ...


J Enzyme Inhib Med Chem 28: 565-8 (2013)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a 1.05E+4n/an/an/an/a7.037



Yeungnam University



Assay Description
To each microtube (final volume: 100 μL), FAS was added (20-30 μg protein) in a buffer containing 100 mM potassium phosphate (pH 7.0), 2.5 ...


J Enzyme Inhib Med Chem 28: 565-8 (2013)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50349517
PNG
(CHEMBL1808693)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(N=NCc2ccccn2)n1
Show InChI InChI=1S/C15H11N5O2S/c21-20(22)13-6-3-4-11(8-13)14-10-23-15(18-14)19-17-9-12-5-1-2-7-16-12/h1-8,10H,9H2
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n/an/a 1.27E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of chicken FAS by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50009248
PNG
((2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-car...)
Show SMILES C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O
Show InChI InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1
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n/an/a 1.30E+4n/an/an/an/a7.037



Yeungnam University



Assay Description
To each microtube (final volume: 100 μL), FAS was added (20-30 μg protein) in a buffer containing 100 mM potassium phosphate (pH 7.0), 2.5 ...


J Enzyme Inhib Med Chem 28: 565-8 (2013)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 1.31E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50394659
PNG
(CHEMBL2165410)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C71H114N24O34/c72-26-2-1-6-32(83-56(115)31(73)5-3-27-81-70(77)78)57(116)85-35(9-18-46(75)97)61(120)88-38(12-21-49(101)102)63(122)90-40(14-23-51(105)106)65(124)94-44(30-55(113)114)68(127)92-41(15-24-52(107)108)66(125)95-43(29-54(111)112)67(126)91-39(13-22-50(103)104)64(123)89-37(11-20-48(99)100)62(121)87-36(10-19-47(76)98)60(119)86-34(8-17-45(74)96)59(118)84-33(7-4-28-82-71(79)80)58(117)93-42(69(128)129)16-25-53(109)110/h31-44H,1-30,72-73H2,(H2,74,96)(H2,75,97)(H2,76,98)(H,83,115)(H,84,118)(H,85,116)(H,86,119)(H,87,121)(H,88,120)(H,89,123)(H,90,122)(H,91,126)(H,92,127)(H,93,117)(H,94,124)(H,95,125)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,128,129)(H4,77,78,81)(H4,79,80,82)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN ketoreductase activity


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50242188
PNG
(6-(8'Z-pentadecenyl)-salicylicacid | 6-[8'(Z)-pent...)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
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n/an/a 1.71E+4n/an/an/an/a7.037



Yeungnam University



Assay Description
To each microtube (final volume: 100 μL), FAS was added (20-30 μg protein) in a buffer containing 100 mM potassium phosphate (pH 7.0), 2.5 ...


J Enzyme Inhib Med Chem 28: 565-8 (2013)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50394660
PNG
(CHEMBL2165409)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C57H97N17O19/c1-6-29(4)44(71-46(82)31(59)16-20-42(78)79)53(89)72-45(30(5)75)55(91)74-25-11-15-39(74)52(88)67-34(18-21-43(80)81)48(84)65-32(12-7-8-22-58)47(83)70-37(27-41(61)77)54(90)73-24-10-14-38(73)51(87)66-33(17-19-40(60)76)49(85)69-36(26-28(2)3)50(86)68-35(56(92)93)13-9-23-64-57(62)63/h28-39,44-45,75H,6-27,58-59H2,1-5H3,(H2,60,76)(H2,61,77)(H,65,84)(H,66,87)(H,67,88)(H,68,86)(H,69,85)(H,70,83)(H,71,82)(H,72,89)(H,78,79)(H,80,81)(H,92,93)(H4,62,63,64)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,44-,45-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN ketoreductase activity


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 5.93E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN ketoreductase activity


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 6.25E+4n/an/an/an/a7.037



Yeungnam University



Assay Description
To each microtube (final volume: 100 μL), FAS was added (20-30 μg protein) in a buffer containing 100 mM potassium phosphate (pH 7.0), 2.5 ...


J Enzyme Inhib Med Chem 28: 565-8 (2013)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN ketoreductase activity


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50256128
PNG
((2R,3S)-4-methylene-2-octyl-5-oxotetrahydrofuran-3...)
Show SMILES CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O
Show InChI InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12+/m1/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN ketoreductase activity


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50394663
PNG
(CHEMBL2165267)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C32H58N12O9/c1-17(2)15-21(28(49)41-20(31(52)53)8-5-13-39-32(37)38)42-27(48)19(10-11-24(35)45)40-29(50)23-9-6-14-44(23)30(51)22(16-25(36)46)43-26(47)18(34)7-3-4-12-33/h17-23H,3-16,33-34H2,1-2H3,(H2,35,45)(H2,36,46)(H,40,50)(H,41,49)(H,42,48)(H,43,47)(H,52,53)(H4,37,38,39)/t18-,19-,20-,21-,22-,23-/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN ketoreductase activity


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN ketoreductase activity


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50318453
PNG
(3-Allyldisulfanyl-propene | CHEMBL366603 | Diallyl...)
Show SMILES C=CCSSCC=C
Show InChI InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
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CHEMBL
KEGG
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PC sid
UniChem

Patents

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PubMed
n/an/a 1.45E+5n/an/an/an/a7.037



Graduate University of Chinese Academy of Sciences



Assay Description
FAS activity was determined by monitoring the decrease in absorbence at 340 nm resulting from the oxidation of NADPH using an Amersham Pharmacia Ultr...


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More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM233038
PNG
(Dimethyl disulfide)
Show InChI InChI=1S/C2H6S2/c1-3-4-2/h1-2H3
UniProtKB/SwissProt

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AffyNet 
KEGG
UniChem
AffyNet 
Article
PubMed
n/an/a 2.21E+6n/an/an/an/a7.037



Graduate University of Chinese Academy of Sciences



Assay Description
FAS activity was determined by monitoring the decrease in absorbence at 340 nm resulting from the oxidation of NADPH using an Amersham Pharmacia Ultr...


Citation and Details
More data for this
Ligand-Target Pair