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Compile Data Set for Download or QSAR

Found 1869 hits of ic50 for UniProtKB: P49327   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Fatty acid synthase


(Homo sapiens (Human))		BDBM50124410
PNG
(CHEMBL3623457)
Show SMILES Fc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2ccncc2c1 |r,wU:10.10,(-7.75,.95,;-6.68,1.56,;-5.35,.78,;-4.01,1.54,;-4,3.08,;-5.33,3.86,;-6.67,3.1,;-8,3.88,;-8.13,5.4,;-6.97,6.42,;-7.27,7.93,;-6.22,9.04,;-6.97,10.38,;-8.48,10.08,;-8.66,8.55,;-9.62,11.12,;-9.35,12.32,;-11.09,10.66,;-12.5,11.02,;-12.04,9.55,;-9.63,5.73,;-10.41,4.41,;-9.39,3.25,;-9.65,2.05,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,)|
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


(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 |r,wU:10.10,(-3.05,-4.92,;-2.28,-3.59,;-.74,-3.59,;.03,-2.25,;-.74,-.92,;-2.28,-.92,;-3.05,-2.25,;-4.59,-2.25,;-5.5,-1.01,;-5.1,.48,;-3.61,.88,;-2.36,-.03,;-1.12,.88,;-1.59,2.34,;-3.13,2.34,;-.5,3.43,;-.9,4.92,;.98,3.03,;2.07,1.95,;2.47,3.43,;-6.96,-1.48,;-6.96,-3.02,;-5.5,-3.5,;-4.73,-4.83,;1.57,-2.25,;2.34,-3.59,;3.88,-3.59,;4.65,-2.25,;6.19,-2.25,;6.96,-.92,;6.19,.41,;4.65,.41,;3.88,-.92,;2.34,-.92,)|
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


(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 |r,wU:10.10,(-2.73,-4.92,;-1.96,-3.59,;-.42,-3.59,;.35,-2.25,;-.42,-.92,;-1.96,-.92,;-2.73,-2.25,;-4.27,-2.25,;-5.17,-1.01,;-4.78,.48,;-3.29,.88,;-2.04,-.03,;-.8,.88,;-1.27,2.34,;-2.81,2.34,;-.18,3.43,;-.58,4.92,;1.3,3.03,;2.39,1.95,;2.79,3.43,;-6.64,-1.48,;-6.64,-3.02,;-5.17,-3.5,;-4.4,-4.83,;1.89,-2.25,;2.66,-3.59,;4.2,-3.59,;4.97,-2.25,;6.48,-1.93,;6.64,-.4,;5.23,.23,;4.2,-.92,;2.66,-.92,)|
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


(Homo sapiens (Human))		BDBM244437
PNG
(US10226449, cpd 46 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244437
PNG
(US10226449, cpd 46 | 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


(Homo sapiens (Human))		BDBM128359
PNG
(US8802864, 14)
Show SMILES O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3ccoc3c2)C1 |r|
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


(Homo sapiens (Human))		BDBM244398
PNG
(US10226449, cpd 7 | 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


(Homo sapiens (Human))		BDBM244404
PNG
(US10226449, cpd 13 | 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


(Homo sapiens (Human))		BDBM244404
PNG
(US10226449, cpd 13 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(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


(Homo sapiens (Human))		BDBM244398
PNG
(US10226449, cpd 7 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(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


(Homo sapiens (Human))		BDBM244438
PNG
(US10226449, cpd 47 | 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


(Homo sapiens (Human))		BDBM244435
PNG
(US10226449, cpd 44 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244435
PNG
(US10226449, cpd 44 | 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


(Homo sapiens (Human))		BDBM244438
PNG
(US10226449, cpd 47 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(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 |r|
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


(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 |r|
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


(Homo sapiens (Human))		BDBM244581
PNG
(US10226449, cpd 190 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244581
PNG
(US10226449, cpd 190 | 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


(Homo sapiens (Human))		BDBM244418
PNG
(US10226449, cpd 27 | 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


(Homo sapiens (Human))		BDBM244769
PNG
(US10226449, cpd 381 | 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 |r,wU:5.8,wD:2.1,(-12.26,3.14,;-11.49,1.8,;-9.95,1.8,;-9.18,.47,;-7.64,.47,;-6.87,1.8,;-7.64,3.14,;-9.18,3.14,;-5.33,1.8,;-4.43,3.05,;-2.93,2.6,;-2.96,1.03,;-4.43,.56,;-1.63,.26,;-.29,1.03,;1.04,.26,;1.04,-1.28,;-.29,-2.05,;-1.63,-1.28,;-2.96,-2.05,;2.37,1.03,;2.37,2.57,;3.71,.26,;4.11,-1.22,;5.59,-.83,;5.19,.66,;6.93,-1.6,;6.93,-3.14,;8.26,-3.91,;9.64,-3.16,;9.59,-1.6,;8.26,-.83,;10.98,-3.93,;12.31,-4.7,;-1.68,3.5,;-.44,4.41,;-2.59,4.75,;-.78,2.26,)|
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n/an/a 9n/an/an/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244439
PNG
(US10226449, cpd 48 | 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


(Homo sapiens (Human))		BDBM244440
PNG
(US10226449, cpd 49 | 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


(Homo sapiens (Human))		BDBM244575
PNG
(US10226449, cpd 184 | 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


(Homo sapiens (Human))		BDBM244632
PNG
(US10226449, cpd 241 | 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


(Homo sapiens (Human))		BDBM244743
PNG
(US10226449, cpd 353 | 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


(Homo sapiens (Human))		BDBM244769
PNG
(US10226449, cpd 381 | 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 |r,wU:5.8,wD:2.1,(-12.26,3.14,;-11.49,1.8,;-9.95,1.8,;-9.18,.47,;-7.64,.47,;-6.87,1.8,;-7.64,3.14,;-9.18,3.14,;-5.33,1.8,;-4.43,3.05,;-2.93,2.6,;-2.96,1.03,;-4.43,.56,;-1.63,.26,;-.29,1.03,;1.04,.26,;1.04,-1.28,;-.29,-2.05,;-1.63,-1.28,;-2.96,-2.05,;2.37,1.03,;2.37,2.57,;3.71,.26,;4.11,-1.22,;5.59,-.83,;5.19,.66,;6.93,-1.6,;6.93,-3.14,;8.26,-3.91,;9.64,-3.16,;9.59,-1.6,;8.26,-.83,;10.98,-3.93,;12.31,-4.7,;-1.68,3.5,;-.44,4.41,;-2.59,4.75,;-.78,2.26,)|
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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


(Homo sapiens (Human))		BDBM244418
PNG
(US10226449, cpd 27 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244436
PNG
(US10226449, cpd 45 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244439
PNG
(US10226449, cpd 48 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244440
PNG
(US10226449, cpd 49 | 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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Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244575
PNG
(US10226449, cpd 184 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244632
PNG
(US10226449, cpd 241 | 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/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244743
PNG
(US10226449, cpd 353 | 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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Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244436
PNG
(US10226449, cpd 45 | 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


(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 |r|
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 10n/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		3D
3D Structure (crystal)
Fatty acid synthase


(Homo sapiens (Human))		BDBM50526389
PNG
(CHEMBL4450081)
Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)9-10-24)18-7-5-17(6-8-18)20-15-19-3-1-2-4-21(19)25-16-20/h1-8,15-16,30H,9-14H2
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FORMA Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...

Bioorg Med Chem Lett 29: 1001-1006 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.012
BindingDB Entry DOI: 10.7270/Q2CJ8HXW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM137324
PNG
(US8871790, 410)
Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(C(=O)N2CCC(F)(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
Show InChI InChI=1S/C32H34FN5O3/c1-20-16-25(22-4-3-5-22)26(29-35-27-10-13-38(31(40)41-2)19-28(27)36-29)17-24(20)30(39)37-14-11-32(33,12-15-37)23-8-6-21(18-34)7-9-23/h6-9,16-17,22H,3-5,10-15,19H2,1-2H3,(H,35,36)
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n/an/a 10n/an/an/an/an/an/a



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 US8871790 (2014)


BindingDB Entry DOI: 10.7270/Q2PG1QD3
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM137333
PNG
(US8871790, 419)
Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(ccc1C1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H33N5O3/c1-39-31(38)36-16-13-27-28(19-36)34-29(33-27)26-17-24(9-10-25(26)23-3-2-4-23)30(37)35-14-11-22(12-15-35)21-7-5-20(18-32)6-8-21/h5-10,17,22-23H,2-4,11-16,19H2,1H3,(H,33,34)
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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 US8871790 (2014)


BindingDB Entry DOI: 10.7270/Q2PG1QD3
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244396
PNG
(US10226449, cpd 5 | US9428502, 5)
Show SMILES Cc1nc(C)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H22N4O/c1-14-4-7-19(10-21(14)22-15(2)25-16(3)26-22)23(28)27-12-20(13-27)18-8-5-17(11-24)6-9-18/h4-10,20H,12-13H2,1-3H3,(H,25,26)
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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
Fatty acid synthase


(Homo sapiens (Human))		BDBM244595
PNG
(US10226449, cpd 204 | US9428502, 204)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O/c1-15-2-5-19(10-21(15)23-22(12-27)28-24(29-23)18-8-9-18)25(31)30-13-20(14-30)17-6-3-16(11-26)4-7-17/h2-7,10,18,20H,8-9,13-14H2,1H3,(H,28,29)
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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
Fatty acid synthase


(Homo sapiens (Human))		BDBM244629
PNG
(US10226449, cpd 238 | US9428502, 238)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1CO)C1CC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H24N4O2/c1-15-2-5-19(10-21(15)23-22(14-30)27-24(28-23)18-8-9-18)25(31)29-12-20(13-29)17-6-3-16(11-26)4-7-17/h2-7,10,18,20,30H,8-9,12-14H2,1H3,(H,27,28)
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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
Fatty acid synthase


(Homo sapiens (Human))		BDBM244722
PNG
(US10226449, cpd 332 | US9428502, 332)
Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCC(O)CC1 |(-2.01,4.01,;-3.35,3.24,;-4.81,3.72,;-5.72,2.47,;-4.81,1.22,;-3.35,1.7,;-2.01,.93,;-.68,1.7,;.65,.93,;.65,-.61,;-.68,-1.38,;-2.01,-.61,;-3.35,-1.38,;1.99,1.7,;1.99,3.24,;3.32,.93,;3.72,-.56,;5.21,-.16,;4.81,1.33,;6.54,-.93,;6.54,-2.47,;7.88,-3.24,;9.26,-2.5,;9.21,-.93,;7.88,-.16,;10.59,-3.27,;11.92,-4.04,;-7.26,2.47,;-8.03,3.8,;-9.57,3.8,;-10.34,2.47,;-11.88,2.47,;-9.57,1.14,;-8.03,1.14,)|
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
Fatty acid synthase


(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


(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


(Homo sapiens (Human))		BDBM244396
PNG
(US10226449, cpd 5 | US9428502, 5)
Show SMILES Cc1nc(C)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H22N4O/c1-14-4-7-19(10-21(14)22-15(2)25-16(3)26-22)23(28)27-12-20(13-27)18-8-5-17(11-24)6-9-18/h4-10,20H,12-13H2,1-3H3,(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244595
PNG
(US10226449, cpd 204 | US9428502, 204)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O/c1-15-2-5-19(10-21(15)23-22(12-27)28-24(29-23)18-8-9-18)25(31)30-13-20(14-30)17-6-3-16(11-26)4-7-17/h2-7,10,18,20H,8-9,13-14H2,1H3,(H,28,29)
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Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244629
PNG
(US10226449, cpd 238 | US9428502, 238)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1CO)C1CC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H24N4O2/c1-15-2-5-19(10-21(15)23-22(14-30)27-24(28-23)18-8-9-18)25(31)29-12-20(13-29)17-6-3-16(11-26)4-7-17/h2-7,10,18,20,30H,8-9,12-14H2,1H3,(H,27,28)
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Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM244722
PNG
(US10226449, cpd 332 | US9428502, 332)
Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCC(O)CC1 |(-2.01,4.01,;-3.35,3.24,;-4.81,3.72,;-5.72,2.47,;-4.81,1.22,;-3.35,1.7,;-2.01,.93,;-.68,1.7,;.65,.93,;.65,-.61,;-.68,-1.38,;-2.01,-.61,;-3.35,-1.38,;1.99,1.7,;1.99,3.24,;3.32,.93,;3.72,-.56,;5.21,-.16,;4.81,1.33,;6.54,-.93,;6.54,-2.47,;7.88,-3.24,;9.26,-2.5,;9.21,-.93,;7.88,-.16,;10.59,-3.27,;11.92,-4.04,;-7.26,2.47,;-8.03,3.8,;-9.57,3.8,;-10.34,2.47,;-11.88,2.47,;-9.57,1.14,;-8.03,1.14,)|
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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Conforma Therapeutics Corporation



Assay Description
FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...

J Med Chem 49: 5352-62 (2006)


BindingDB Entry DOI: 10.7270/Q27M0B78
More data for this
Ligand-Target Pair
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