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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' AND taxid = 10116   
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


(Rattus norvegicus)
BDBM50189474
PNG
(7-fluoro-4-hydroxy-6-nitro-3-phenylquinolin-2(1H)-...)
Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2cc(F)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H9FN2O4/c16-10-7-11-9(6-12(10)18(21)22)14(19)13(15(20)17-11)8-4-2-1-3-5-8/h1-7H,(H2,17,19,20)
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50426433
PNG
(CHEMBL2322360)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)N1CCCC1
Show InChI InChI=1S/C31H32N6O/c1-20-15-21(2)26(31(38)37-13-9-24(10-14-37)23-7-5-22(18-32)6-8-23)16-25(20)30-34-27-17-29(33-19-28(27)35-30)36-11-3-4-12-36/h5-8,15-17,19,24H,3-4,9-14H2,1-2H3,(H,34,35)
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n/an/a 62n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FASN in rat NMU cells assessed as reduction of de novo synthesis of palmitate


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


(Rattus norvegicus)
BDBM50189472
PNG
(7-chloro-4-hydroxy-6-nitro-3-phenylquinolin-2(1H)-...)
Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H9ClN2O4/c16-10-7-11-9(6-12(10)18(21)22)14(19)13(15(20)17-11)8-4-2-1-3-5-8/h1-7H,(H2,17,19,20)
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n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50189486
PNG
(3-(4-(benzyloxy)phenyl)-7-chloro-4-hydroxy-6-nitro...)
Show SMILES Oc1c(-c2ccc(OCc3ccccc3)cc2)c(=O)[nH]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C22H15ClN2O5/c23-17-11-18-16(10-19(17)25(28)29)21(26)20(22(27)24-18)14-6-8-15(9-7-14)30-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,24,26,27)
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n/an/a 86n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50189484
PNG
(3-biphenyl-4-yl-7-chloro-4-hydroxy-6-nitro-1H-quin...)
Show SMILES Oc1c(-c2ccc(cc2)-c2ccccc2)c(=O)[nH]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C21H13ClN2O4/c22-16-11-17-15(10-18(16)24(27)28)20(25)19(21(26)23-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,23,25,26)
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n/an/a 122n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50189470
PNG
(7-chloro-3-(3,5-dichlorophenyl)-4-hydroxy-6-nitroq...)
Show SMILES Oc1c(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H7Cl3N2O4/c16-7-1-6(2-8(17)3-7)13-14(21)9-4-12(20(23)24)10(18)5-11(9)19-15(13)22/h1-5H,(H2,19,21,22)
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n/an/a 134n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50426433
PNG
(CHEMBL2322360)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)N1CCCC1
Show InChI InChI=1S/C31H32N6O/c1-20-15-21(2)26(31(38)37-13-9-24(10-14-37)23-7-5-22(18-32)6-8-23)16-25(20)30-34-27-17-29(33-19-28(27)35-30)36-11-3-4-12-36/h5-8,15-17,19,24H,3-4,9-14H2,1-2H3,(H,34,35)
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n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50189475
PNG
(7-chloro-3-(3,5-difluorophenyl)-4-hydroxy-6-nitroq...)
Show SMILES Oc1c(-c2cc(F)cc(F)c2)c(=O)[nH]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H7ClF2N2O4/c16-10-5-11-9(4-12(10)20(23)24)14(21)13(15(22)19-11)6-1-7(17)3-8(18)2-6/h1-5H,(H2,19,21,22)
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n/an/a 172n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50189482
PNG
(7-chloro-3-(2,4-difluorophenyl)-4-hydroxy-6-nitroq...)
Show SMILES Oc1c(-c2ccc(F)cc2F)c(=O)[nH]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H7ClF2N2O4/c16-9-5-11-8(4-12(9)20(23)24)14(21)13(15(22)19-11)7-2-1-6(17)3-10(7)18/h1-5H,(H2,19,21,22)
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n/an/a 173n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50426434
PNG
(CHEMBL2322359)
Show SMILES COCCN(C)c1cc2nc([nH]c2cn1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C31H34N6O2/c1-20-15-21(2)26(31(38)37-11-9-24(10-12-37)23-7-5-22(18-32)6-8-23)16-25(20)30-34-27-17-29(33-19-28(27)35-30)36(3)13-14-39-4/h5-8,15-17,19,24H,9-14H2,1-4H3,(H,34,35)
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n/an/a 316n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50426435
PNG
(CHEMBL2322370)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)N1CCOCC1
Show InChI InChI=1S/C31H32N6O2/c1-20-15-21(2)26(31(38)37-9-7-24(8-10-37)23-5-3-22(18-32)4-6-23)16-25(20)30-34-27-17-29(33-19-28(27)35-30)36-11-13-39-14-12-36/h3-6,15-17,19,24H,7-14H2,1-2H3,(H,34,35)
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n/an/a 316n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50426429
PNG
(CHEMBL2322364)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2nc(ccc2[nH]1)N1CCC1
Show InChI InChI=1S/C30H30N6O/c1-19-16-20(2)25(30(37)36-14-10-23(11-15-36)22-6-4-21(18-31)5-7-22)17-24(19)28-32-26-8-9-27(33-29(26)34-28)35-12-3-13-35/h4-9,16-17,23H,3,10-15H2,1-2H3,(H,32,33,34)
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n/an/a 325n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50426432
PNG
(CHEMBL2322361)
Show SMILES Cc1ccc(cc1-c1nc2cc(ncc2[nH]1)N1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H28N6O/c1-19-3-6-23(29(36)35-13-9-22(10-14-35)21-7-4-20(17-30)5-8-21)15-24(19)28-32-25-16-27(34-11-2-12-34)31-18-26(25)33-28/h3-8,15-16,18,22H,2,9-14H2,1H3,(H,32,33)
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n/an/a 397n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50189460
PNG
(7-chloro-3-(2,4-dichlorophenyl)-4-hydroxy-6-nitroq...)
Show SMILES Oc1c(-c2ccc(Cl)cc2Cl)c(=O)[nH]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H7Cl3N2O4/c16-6-1-2-7(9(17)3-6)13-14(21)8-4-12(20(23)24)10(18)5-11(8)19-15(13)22/h1-5H,(H2,19,21,22)
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n/an/a 443n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50426428
PNG
(CHEMBL2322365)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2ccnc(N3CCC3)c2[nH]1
Show InChI InChI=1S/C30H30N6O/c1-19-16-20(2)25(30(37)36-14-9-23(10-15-36)22-6-4-21(18-31)5-7-22)17-24(19)28-33-26-8-11-32-29(27(26)34-28)35-12-3-13-35/h4-8,11,16-17,23H,3,9-10,12-15H2,1-2H3,(H,33,34)
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n/an/a 510n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50189455
PNG
(4-hydroxy-6-nitro-3-phenylquinolin-2(1H)-one | CHE...)
Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H10N2O4/c18-14-11-8-10(17(20)21)6-7-12(11)16-15(19)13(14)9-4-2-1-3-5-9/h1-8H,(H2,16,18,19)
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n/an/a 550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50426443
PNG
(CHEMBL2322374)
Show SMILES Cc1ccc(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)N1CCCC1
Show InChI InChI=1S/C30H30N6O/c1-20-4-7-24(29-33-26-17-28(32-19-27(26)34-29)35-12-2-3-13-35)16-25(20)30(37)36-14-10-23(11-15-36)22-8-5-21(18-31)6-9-22/h4-9,16-17,19,23H,2-3,10-15H2,1H3,(H,33,34)
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n/an/a 635n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50189466
PNG
(7-chloro-4-hydroxy-6-nitro-3-(thiophen-2-yl)quinol...)
Show SMILES Oc1c(-c2cccs2)c(=O)[nH]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H7ClN2O4S/c14-7-5-8-6(4-9(7)16(19)20)12(17)11(13(18)15-8)10-2-1-3-21-10/h1-5H,(H2,15,17,18)
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n/an/a 700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50267073
PNG
(2-Undecyl-4-methylene-5-oxo-tetrahydro-thiophene-3...)
Show SMILES CCCCCCCCCCC[C@H]1SC(=O)C(=C)[C@@H]1C(O)=O
Show InChI InChI=1S/C17H28O3S/c1-3-4-5-6-7-8-9-10-11-12-14-15(16(18)19)13(2)17(20)21-14/h14-15H,2-12H2,1H3,(H,18,19)/t14-,15+/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of rat liver FAS by Coomassie blue staining


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


(Rattus norvegicus)
BDBM50267072
PNG
(2-Decyl-4-methylene-5-oxo-tetrahydro-thiophene-3-c...)
Show SMILES CCCCCCCCCC[C@H]1SC(=O)C(=C)[C@@H]1C(O)=O
Show InChI InChI=1S/C16H26O3S/c1-3-4-5-6-7-8-9-10-11-13-14(15(17)18)12(2)16(19)20-13/h13-14H,2-11H2,1H3,(H,17,18)/t13-,14+/m1/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of rat liver FAS by Coomassie blue staining


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


(Rattus norvegicus)
BDBM50426446
PNG
(CHEMBL2322371)
Show SMILES Cc1ccc(cc1-c1nc2cc(ncc2[nH]1)N1CCCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H30N6O/c1-20-4-7-24(30(37)36-14-10-23(11-15-36)22-8-5-21(18-31)6-9-22)16-25(20)29-33-26-17-28(32-19-27(26)34-29)35-12-2-3-13-35/h4-9,16-17,19,23H,2-3,10-15H2,1H3,(H,33,34)
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n/an/a 1.72E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50267071
PNG
(2-Nonyl-4-methylene-5-oxo-tetrahydro-thiophene-3-c...)
Show SMILES CCCCCCCCC[C@H]1SC(=O)C(=C)[C@@H]1C(O)=O
Show InChI InChI=1S/C15H24O3S/c1-3-4-5-6-7-8-9-10-12-13(14(16)17)11(2)15(18)19-12/h12-13H,2-10H2,1H3,(H,16,17)/t12-,13+/m1/s1
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n/an/a 2.28E+3n/an/an/an/an/an/a



Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of rat liver FAS by Coomassie blue staining


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


(Rattus norvegicus)
BDBM50426431
PNG
(CHEMBL2322362)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)S(C)(=O)=O
Show InChI InChI=1S/C28H27N5O3S/c1-17-12-18(2)23(13-22(17)27-31-24-14-26(37(3,35)36)30-16-25(24)32-27)28(34)33-10-8-21(9-11-33)20-6-4-19(15-29)5-7-20/h4-7,12-14,16,21H,8-11H2,1-3H3,(H,31,32)
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n/an/a 2.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50267033
PNG
(2-Octyl-4-methylene-5-oxo-tetrahydro-thiophene-3-c...)
Show SMILES CCCCCCCC[C@H]1SC(=O)C(=C)[C@@H]1C(O)=O
Show InChI InChI=1S/C14H22O3S/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 2.56E+3n/an/an/an/an/an/a



Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of rat liver FAS by Coomassie blue staining


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


(Rattus norvegicus)
BDBM50189458
PNG
(7-chloro-4-hydroxy-6-nitro-3-(1H-tetrazol-5-yl)qui...)
Show SMILES Oc1c(-c2nnn[nH]2)c(=O)[nH]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C10H5ClN6O4/c11-4-2-5-3(1-6(4)17(20)21)8(18)7(10(19)12-5)9-13-15-16-14-9/h1-2H,(H2,12,18,19)(H,13,14,15,16)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50426445
PNG
(CHEMBL2322372)
Show SMILES O=C(N1CCC(CC1)c1ccc(cc1)C#N)c1cccc(c1)-c1nc2cc(ncc2[nH]1)N1CCCC1
Show InChI InChI=1S/C29H28N6O/c30-18-20-6-8-21(9-7-20)22-10-14-35(15-11-22)29(36)24-5-3-4-23(16-24)28-32-25-17-27(31-19-26(25)33-28)34-12-1-2-13-34/h3-9,16-17,19,22H,1-2,10-15H2,(H,32,33)
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n/an/a 2.95E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50189477
PNG
(4-hydroxy-8-nitro-3-phenylquinolin-2(1H)-one | CHE...)
Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C15H10N2O4/c18-14-10-7-4-8-11(17(20)21)13(10)16-15(19)12(14)9-5-2-1-3-6-9/h1-8H,(H2,16,18,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50426436
PNG
(CHEMBL2322369)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)N1CCNCC1
Show InChI InChI=1S/C31H33N7O/c1-20-15-21(2)26(31(39)38-11-7-24(8-12-38)23-5-3-22(18-32)4-6-23)16-25(20)30-35-27-17-29(34-19-28(27)36-30)37-13-9-33-10-14-37/h3-6,15-17,19,24,33H,7-14H2,1-2H3,(H,35,36)
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n/an/a 3.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50189492
PNG
(7-chloro-4-hydroxy-3-(3-methylisoxazol-5-yl)-6-nit...)
Show SMILES Cc1cc(on1)-c1c(O)c2cc(c(Cl)cc2[nH]c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H8ClN3O5/c1-5-2-10(22-16-5)11-12(18)6-3-9(17(20)21)7(14)4-8(6)15-13(11)19/h2-4H,1H3,(H2,15,18,19)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50256179
PNG
((trans)-1-oxo-3-undecylisothiochroman-4-carboxylic...)
Show SMILES CCCCCCCCCCC[C@H]1SC(=O)c2ccccc2[C@@H]1C(O)=O
Show InChI InChI=1S/C21H30O3S/c1-2-3-4-5-6-7-8-9-10-15-18-19(20(22)23)16-13-11-12-14-17(16)21(24)25-18/h11-14,18-19H,2-10,15H2,1H3,(H,22,23)/t18-,19+/m1/s1
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n/an/a 3.62E+3n/an/an/an/an/an/a



Institute of Pharmacology & Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat liver fatty acid synthase


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


(Rattus norvegicus)
BDBM50426437
PNG
(CHEMBL2322368)
Show SMILES CN1CCN(CC1)c1cc2nc([nH]c2cn1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C32H35N7O/c1-21-16-22(2)27(32(40)39-10-8-25(9-11-39)24-6-4-23(19-33)5-7-24)17-26(21)31-35-28-18-30(34-20-29(28)36-31)38-14-12-37(3)13-15-38/h4-7,16-18,20,25H,8-15H2,1-3H3,(H,35,36)
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n/an/a 3.84E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50426430
PNG
(CHEMBL2322363)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2ncc(cc2[nH]1)S(C)(=O)=O
Show InChI InChI=1S/C28H27N5O3S/c1-17-12-18(2)24(14-23(17)26-31-25-13-22(37(3,35)36)16-30-27(25)32-26)28(34)33-10-8-21(9-11-33)20-6-4-19(15-29)5-7-20/h4-7,12-14,16,21H,8-11H2,1-3H3,(H,30,31,32)
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n/an/a 3.85E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50426427
PNG
(CHEMBL2322357)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(nc1)N1CCCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H31N5O2/c1-21-4-7-25(30(37)35-16-12-24(13-17-35)23-8-5-22(19-31)6-9-23)18-27(21)33-29(36)26-10-11-28(32-20-26)34-14-2-3-15-34/h4-11,18,20,24H,2-3,12-17H2,1H3,(H,33,36)
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n/an/a 3.97E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat FASN assessed as release of co-enzyme A


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


(Rattus norvegicus)
BDBM50256178
PNG
((trans)-3-decyl-1-oxoisothiochroman-4-carboxylic a...)
Show SMILES CCCCCCCCCC[C@H]1SC(=O)c2ccccc2[C@@H]1C(O)=O
Show InChI InChI=1S/C20H28O3S/c1-2-3-4-5-6-7-8-9-14-17-18(19(21)22)15-12-10-11-13-16(15)20(23)24-17/h10-13,17-18H,2-9,14H2,1H3,(H,21,22)/t17-,18+/m1/s1
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n/an/a 4.11E+3n/an/an/an/an/an/a



Institute of Pharmacology & Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat liver fatty acid synthase


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


(Rattus norvegicus)
BDBM50189489
PNG
(7-chloro-4-hydroxy-3-(naphthalen-2-yl)-6-nitroquin...)
Show SMILES Oc1c(-c2ccc3ccccc3c2)c(=O)[nH]c2cc(Cl)c(cc12)[N+]([O-])=O
Show InChI InChI=1S/C19H11ClN2O4/c20-14-9-15-13(8-16(14)22(25)26)18(23)17(19(24)21-15)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H2,21,23,24)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50256132
PNG
((trans)-3-nonyl-1-oxoisothiochroman-4-carboxylic a...)
Show SMILES CCCCCCCCCC1SC(=O)c2ccccc2[C@@H]1C(O)=O
Show InChI InChI=1S/C19H26O3S/c1-2-3-4-5-6-7-8-13-16-17(18(20)21)14-11-9-10-12-15(14)19(22)23-16/h9-12,16-17H,2-8,13H2,1H3,(H,20,21)/t16?,17-/m0/s1
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n/an/a 8.29E+3n/an/an/an/an/an/a



Institute of Pharmacology & Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat liver fatty acid synthase


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


(Rattus norvegicus)
BDBM50256131
PNG
((trans)-3-octyl-1-oxoisothiochroman-4-carboxylic a...)
Show SMILES CCCCCCCC[C@H]1SC(=O)c2ccccc2[C@@H]1C(O)=O
Show InChI InChI=1S/C18H24O3S/c1-2-3-4-5-6-7-12-15-16(17(19)20)13-10-8-9-11-14(13)18(21)22-15/h8-11,15-16H,2-7,12H2,1H3,(H,19,20)/t15-,16+/m1/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



Institute of Pharmacology & Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat liver fatty acid synthase


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


(Rattus norvegicus)
BDBM50189467
PNG
(4-hydroxy-6-nitroquinolin-2(1H)-one | CHEMBL377915)
Show SMILES Oc1cc(=O)[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C9H6N2O4/c12-8-4-9(13)10-7-2-1-5(11(14)15)3-6(7)8/h1-4H,(H2,10,12,13)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50001260
PNG
(3-phenyl-4-hydroxyquinolin-2(1H)-one | 4-Hydroxy-3...)
Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-15(18)13(14)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50189468
PNG
(4-hydroxy-3-phenyl-6-(trifluoromethyl)quinolin-2(1...)
Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO2/c17-16(18,19)10-6-7-12-11(8-10)14(21)13(15(22)20-12)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50189469
PNG
(4-hydroxy-2-oxo-3-phenyl-1,2-dihydroquinoline-6-ca...)
Show SMILES OC(=O)c1ccc2[nH]c(=O)c(-c3ccccc3)c(O)c2c1
Show InChI InChI=1S/C16H11NO4/c18-14-11-8-10(16(20)21)6-7-12(11)17-15(19)13(14)9-4-2-1-3-5-9/h1-8H,(H,20,21)(H2,17,18,19)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50189461
PNG
(4-hydroxy-6-(methylsulfonyl)-3-phenylquinolin-2(1H...)
Show SMILES CS(=O)(=O)c1ccc2[nH]c(=O)c(-c3ccccc3)c(O)c2c1
Show InChI InChI=1S/C16H13NO4S/c1-22(20,21)11-7-8-13-12(9-11)15(18)14(16(19)17-13)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
BDBM50189487
PNG
(4-hydroxy-3-phenyl-6-(trifluoromethylsulfonyl)quin...)
Show SMILES Oc1c(-c2ccccc2)c(=O)[nH]c2ccc(cc12)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO4S/c17-16(18,19)25(23,24)10-6-7-12-11(8-10)14(21)13(15(22)20-12)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat FAS


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


(Rattus norvegicus)
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 1.55E+4n/an/an/an/an/an/a



Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of rat liver FAS by Coomassie blue staining


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


(Rattus norvegicus)
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 1.55E+4n/an/an/an/an/an/a



Institute of Pharmacology & Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat liver fatty acid synthase


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


(Rattus norvegicus)
BDBM50267032
PNG
(2-Hexyl-4-methylene-5-oxo-tetrahydro-thiophene-3-c...)
Show SMILES CCCCCC[C@H]1SC(=O)C(=C)[C@@H]1C(O)=O
Show InChI InChI=1S/C12H18O3S/c1-3-4-5-6-7-9-10(11(13)14)8(2)12(15)16-9/h9-10H,2-7H2,1H3,(H,13,14)/t9-,10+/m1/s1
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n/an/a 1.67E+4n/an/an/an/an/an/a



Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of rat liver FAS by Coomassie blue staining


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


(Rattus norvegicus)
BDBM50267147
PNG
(CHEMBL478136 | trans-3-Undecyl-1-oxo-isochroman-4-...)
Show SMILES CCCCCCCCCCC[C@@H]1OC(=O)c2ccccc2[C@H]1C(O)=O
Show InChI InChI=1S/C21H30O4/c1-2-3-4-5-6-7-8-9-10-15-18-19(20(22)23)16-13-11-12-14-17(16)21(24)25-18/h11-14,18-19H,2-10,15H2,1H3,(H,22,23)/t18-,19+/m0/s1
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n/an/a 1.95E+4n/an/an/an/an/an/a



Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of rat liver FAS by Coomassie blue staining


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


(Rattus norvegicus)
BDBM50267146
PNG
(CHEMBL518275 | trans-3-Decyl-1-oxo-isochroman-4-ca...)
Show SMILES CCCCCCCCCC[C@@H]1OC(=O)c2ccccc2[C@H]1C(O)=O
Show InChI InChI=1S/C20H28O4/c1-2-3-4-5-6-7-8-9-14-17-18(19(21)22)15-12-10-11-13-16(15)20(23)24-17/h10-13,17-18H,2-9,14H2,1H3,(H,21,22)/t17-,18+/m0/s1
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n/an/a 2.42E+4n/an/an/an/an/an/a



Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of rat liver FAS by Coomassie blue staining


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


(Rattus norvegicus)
BDBM50256130
PNG
((trans)-3-heptyl-1-oxoisothiochroman-4-carboxylic ...)
Show SMILES CCCCCCC[C@H]1SC(=O)c2ccccc2[C@@H]1C(O)=O
Show InChI InChI=1S/C17H22O3S/c1-2-3-4-5-6-11-14-15(16(18)19)12-9-7-8-10-13(12)17(20)21-14/h7-10,14-15H,2-6,11H2,1H3,(H,18,19)/t14-,15+/m1/s1
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n/an/a 2.69E+4n/an/an/an/an/an/a



Institute of Pharmacology & Toxicology

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat liver fatty acid synthase


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


(Rattus norvegicus)
BDBM50267103
PNG
(CHEMBL517501 | trans-4-Isopropylidene-2-undecyl-5-...)
Show SMILES CCCCCCCCCCC[C@H]1OC(=O)C([C@@H]1C(O)=O)=C(C)C
Show InChI InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-11-12-13-15-17(18(20)21)16(14(2)3)19(22)23-15/h15,17H,4-13H2,1-3H3,(H,20,21)/t15-,17-/m1/s1
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n/an/a 2.75E+4n/an/an/an/an/an/a



Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of rat liver FAS by Coomassie blue staining


Citation and Details
More data for this
Ligand-Target Pair
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