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Patent code US9428502

Compile Data Set for Download or QSAR

Found 338 hits of Enzyme Inhibition Constant Data   
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))
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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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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...


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


(Homo sapiens (Human))
BDBM244629
PNG
(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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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...


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


(Homo sapiens (Human))
BDBM244396
PNG
(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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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...


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


(Homo sapiens (Human))
BDBM244595
PNG
(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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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...


Citation and Details
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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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...


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


(Homo sapiens (Human))
BDBM244752
PNG
(US9428502, 362)
Show SMILES COCCc1nc(c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O2/c1-15-3-6-18(24(33)32-13-19(14-32)17-7-4-16(12-29)5-8-17)11-20(15)22-23(25(26,27)28)31-21(30-22)9-10-34-2/h3-8,11,19H,9-10,13-14H2,1-2H3,(H,30,31)
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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...


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


(Homo sapiens (Human))
BDBM244624
PNG
(US9428502, 233)
Show SMILES Cc1nc(CCC#N)[nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H23N5O/c1-16-5-8-20(12-22(16)24-17(2)28-23(29-24)4-3-11-26)25(31)30-14-21(15-30)19-9-6-18(13-27)7-10-19/h5-10,12,21H,3-4,14-15H2,1-2H3,(H,28,29)
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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...


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


(Homo sapiens (Human))
BDBM244563
PNG
(US9428502, 172)
Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCOC1
Show InChI InChI=1S/C26H26N4O2/c1-16-3-6-20(11-23(16)24-17(2)28-25(29-24)21-9-10-32-15-21)26(31)30-13-22(14-30)19-7-4-18(12-27)5-8-19/h3-8,11,21-22H,9-10,13-15H2,1-2H3,(H,28,29)
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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...


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More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM244422
PNG
(US9428502, 31)
Show SMILES Cc1nc(Cl)c([nH]1)-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C23H21ClN4O/c1-13-8-14(2)20(9-19(13)21-22(24)27-15(3)26-21)23(29)28-11-18(12-28)17-6-4-16(10-25)5-7-17/h4-9,18H,11-12H2,1-3H3,(H,26,27)
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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...


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


(Homo sapiens (Human))
BDBM244568
PNG
(US9428502, 177)
Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1(C)COC1
Show InChI InChI=1S/C26H26N4O2/c1-16-4-7-20(10-22(16)23-17(2)28-25(29-23)26(3)14-32-15-26)24(31)30-12-21(13-30)19-8-5-18(11-27)6-9-19/h4-10,21H,12-15H2,1-3H3,(H,28,29)
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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...


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


(Homo sapiens (Human))
BDBM244602
PNG
(US9428502, 211)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CCOCC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H25N5O2/c1-17-2-5-21(27(33)32-15-22(16-32)19-6-3-18(13-28)4-7-19)12-23(17)25-24(14-29)30-26(31-25)20-8-10-34-11-9-20/h2-7,12,20,22H,8-11,15-16H2,1H3,(H,30,31)
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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...


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


(Homo sapiens (Human))
BDBM244742
PNG
(US9428502, 352)
Show SMILES Cc1ccc(cc1-c1[nH]c(CCO)nc1C(F)(F)F)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H21F3N4O2/c1-14-2-5-17(10-19(14)21-22(24(25,26)27)30-20(29-21)8-9-32)23(33)31-12-18(13-31)16-6-3-15(11-28)4-7-16/h2-7,10,18,32H,8-9,12-13H2,1H3,(H,29,30)
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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...


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


(Homo sapiens (Human))
BDBM244559
PNG
(US9428502, 168)
Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCOCC1
Show InChI InChI=1S/C27H28N4O2/c1-17-3-6-22(27(32)31-15-23(16-31)20-7-4-19(14-28)5-8-20)13-24(17)25-18(2)29-26(30-25)21-9-11-33-12-10-21/h3-8,13,21,23H,9-12,15-16H2,1-2H3,(H,29,30)
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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...


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


(Homo sapiens (Human))
BDBM244618
PNG
(US9428502, 227)
Show SMILES Cc1nc(CCO)[nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N4O2/c1-15-3-6-19(11-21(15)23-16(2)26-22(27-23)9-10-29)24(30)28-13-20(14-28)18-7-4-17(12-25)5-8-18/h3-8,11,20,29H,9-10,13-14H2,1-2H3,(H,26,27)
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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...


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


(Homo sapiens (Human))
BDBM244772
PNG
(US9428502, 384)
Show SMILES Cc1nc(C)c([nH]1)-c1cc(ccc1N1CCCC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H27N5O/c1-17-25(29-18(2)28-17)23-13-21(9-10-24(23)30-11-3-4-12-30)26(32)31-15-22(16-31)20-7-5-19(14-27)6-8-20/h5-10,13,22H,3-4,11-12,15-16H2,1-2H3,(H,28,29)
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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...


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


(Homo sapiens (Human))
BDBM244750
PNG
(US9428502, 360)
Show SMILES COCc1nc(c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O2/c1-14-3-6-17(9-19(14)21-22(24(25,26)27)30-20(29-21)13-33-2)23(32)31-11-18(12-31)16-7-4-15(10-28)5-8-16/h3-9,18H,11-13H2,1-2H3,(H,29,30)
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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...


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


(Homo sapiens (Human))
BDBM244423
PNG
(US9428502, 32)
Show SMILES Cc1nc(Cl)c([nH]1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C25H25ClN4O/c1-15-12-16(2)22(13-21(15)23-24(26)29-17(3)28-23)25(31)30-10-8-20(9-11-30)19-6-4-18(14-27)5-7-19/h4-7,12-13,20H,8-11H2,1-3H3,(H,28,29)
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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...


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


(Homo sapiens (Human))
BDBM244434
PNG
(US9428502, 43)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1CC1)C(=O)N1CC(F)(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20ClFN4O/c1-14-2-5-17(10-19(14)20-21(25)29-22(28-20)16-6-7-16)23(31)30-12-24(26,13-30)18-8-3-15(11-27)4-9-18/h2-5,8-10,16H,6-7,12-13H2,1H3,(H,28,29)
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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...


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


(Homo sapiens (Human))
BDBM244758
PNG
(US9428502, 368)
Show SMILES Cc1nc(c([nH]1)-c1cc(ccc1C)C(=O)N1CC(F)(C1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C23H18F4N4O/c1-13-3-6-16(9-18(13)19-20(23(25,26)27)30-14(2)29-19)21(32)31-11-22(24,12-31)17-7-4-15(10-28)5-8-17/h3-9H,11-12H2,1-2H3,(H,29,30)
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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...


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


(Homo sapiens (Human))
BDBM244760
PNG
(US9428502, 370)
Show SMILES Cc1nc(c([nH]1)-c1cc(C(=O)N2CC(F)(C2)c2ccc(cc2)C#N)c(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C24H20F4N4O/c1-13-8-14(2)19(9-18(13)20-21(24(26,27)28)31-15(3)30-20)22(33)32-11-23(25,12-32)17-6-4-16(10-29)5-7-17/h4-9H,11-12H2,1-3H3,(H,30,31)
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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...


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


(Homo sapiens (Human))
BDBM244751
PNG
(US9428502, 361)
Show SMILES COCCc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23ClN4O2/c1-15-3-6-18(11-20(15)22-23(25)28-21(27-22)9-10-31-2)24(30)29-13-19(14-29)17-7-4-16(12-26)5-8-17/h3-8,11,19H,9-10,13-14H2,1-2H3,(H,27,28)
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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...


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


(Homo sapiens (Human))
BDBM244768
PNG
(US9428502, 380)
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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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...


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


(Homo sapiens (Human))
BDBM244586
PNG
(US9428502, 195)
Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1(O)CCOCC1
Show InChI InChI=1S/C27H28N4O3/c1-17-3-6-21(25(32)31-15-22(16-31)20-7-4-19(14-28)5-8-20)13-23(17)24-18(2)29-26(30-24)27(33)9-11-34-12-10-27/h3-8,13,22,33H,9-12,15-16H2,1-2H3,(H,29,30)
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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...


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


(Homo sapiens (Human))
BDBM244605
PNG
(US9428502, 214)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CCOC1)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H23N5O2/c1-16-2-5-19(26(32)31-13-21(14-31)18-6-3-17(11-27)4-7-18)10-22(16)24-23(12-28)29-25(30-24)20-8-9-33-15-20/h2-7,10,20-21H,8-9,13-15H2,1H3,(H,29,30)
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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...


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


(Homo sapiens (Human))
BDBM244738
PNG
(US9428502, 348)
Show SMILES COC(=O)N1CCC(C)(CC1)c1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H30ClN5O3/c1-18-4-7-21(26(36)35-16-22(17-35)20-8-5-19(15-31)6-9-20)14-23(18)24-25(30)33-27(32-24)29(2)10-12-34(13-11-29)28(37)38-3/h4-9,14,22H,10-13,16-17H2,1-3H3,(H,32,33)
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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...


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


(Homo sapiens (Human))
BDBM244759
PNG
(US9428502, 369)
Show SMILES Cc1nc(c([nH]1)-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O/c1-13-8-14(2)20(9-19(13)21-22(24(25,26)27)30-15(3)29-21)23(32)31-11-18(12-31)17-6-4-16(10-28)5-7-17/h4-9,18H,11-12H2,1-3H3,(H,29,30)
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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...


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


(Homo sapiens (Human))
BDBM244749
PNG
(US9428502, 359)
Show SMILES COCc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21ClN4O2/c1-14-3-6-17(9-19(14)21-22(24)27-20(26-21)13-30-2)23(29)28-11-18(12-28)16-7-4-15(10-25)5-8-16/h3-9,18H,11-13H2,1-2H3,(H,26,27)
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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...


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


(Homo sapiens (Human))
BDBM244587
PNG
(US9428502, 196)
Show SMILES COC1(CCCOC1)c1nc(C)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H30N4O3/c1-18-5-8-22(26(33)32-15-23(16-32)21-9-6-20(14-29)7-10-21)13-24(18)25-19(2)30-27(31-25)28(34-3)11-4-12-35-17-28/h5-10,13,23H,4,11-12,15-17H2,1-3H3,(H,30,31)
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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...


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


(Homo sapiens (Human))
BDBM244609
PNG
(US9428502, 218 | US9428502, 295)
Show SMILES Cc1nc(c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O/c1-13-3-6-17(9-19(13)20-21(23(24,25)26)29-14(2)28-20)22(31)30-11-18(12-30)16-7-4-15(10-27)5-8-16/h3-9,18H,11-12H2,1-2H3,(H,28,29)
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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...


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


(Homo sapiens (Human))
BDBM244596
PNG
(US9428502, 205)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H25N5O/c1-17-2-5-22(14-23(17)25-24(16-29)30-26(31-25)21-8-9-21)27(33)32-12-10-20(11-13-32)19-6-3-18(15-28)4-7-19/h2-7,14,20-21H,8-13H2,1H3,(H,30,31)
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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...


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


(Homo sapiens (Human))
BDBM244628
PNG
(US9428502, 237)
Show SMILES Cc1nc(CO)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H22N4O2/c1-14-3-6-18(9-20(14)22-21(13-28)25-15(2)26-22)23(29)27-11-19(12-27)17-7-4-16(10-24)5-8-17/h3-9,19,28H,11-13H2,1-2H3,(H,25,26)
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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...


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


(Homo sapiens (Human))
BDBM244737
PNG
(US9428502, 347)
Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1(C)CCOCC1)C(=O)N1CC(F)(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H26ClFN4O2/c1-17-3-6-19(24(34)33-15-27(29,16-33)20-7-4-18(14-30)5-8-20)13-21(17)22-23(28)32-25(31-22)26(2)9-11-35-12-10-26/h3-8,13H,9-12,15-16H2,1-2H3,(H,31,32)
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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...


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


(Homo sapiens (Human))
BDBM244421
PNG
(US9428502, 30)
Show SMILES Cc1ccc(cc1-c1[nH]c(CO)nc1Cl)C(=O)N1CC(F)(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H18ClFN4O2/c1-13-2-5-15(8-17(13)19-20(23)27-18(10-29)26-19)21(30)28-11-22(24,12-28)16-6-3-14(9-25)4-7-16/h2-8,29H,10-12H2,1H3,(H,26,27)
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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...


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


(Homo sapiens (Human))
BDBM244621
PNG
(US9428502, 230)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CC(F)(C1)c1ccc(cc1)C#N)-c1[nH]c(CO)nc1Cl
Show InChI InChI=1S/C23H20ClFN4O2/c1-13-7-14(2)18(8-17(13)20-21(24)28-19(10-30)27-20)22(31)29-11-23(25,12-29)16-5-3-15(9-26)4-6-16/h3-8,30H,10-12H2,1-2H3,(H,27,28)
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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...


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


(Homo sapiens (Human))
BDBM244551
PNG
(US9428502, 160)
Show SMILES Cc1nc([nH]c1-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C)C1CC1
Show InChI InChI=1S/C26H26N4O/c1-15-10-16(2)23(11-22(15)24-17(3)28-25(29-24)20-8-9-20)26(31)30-13-21(14-30)19-6-4-18(12-27)5-7-19/h4-7,10-11,20-21H,8-9,13-14H2,1-3H3,(H,28,29)
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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...


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


(Homo sapiens (Human))
BDBM244530
PNG
(US9428502, 139)
Show SMILES Cc1nc(C#N)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H19N5O/c1-14-3-6-18(9-20(14)22-21(11-25)26-15(2)27-22)23(29)28-12-19(13-28)17-7-4-16(10-24)5-8-17/h3-9,19H,12-13H2,1-2H3,(H,26,27)
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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...


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


(Homo sapiens (Human))
BDBM244407
PNG
(US9428502, 16)
Show SMILES Cc1nc(C#N)c([nH]1)-c1cc(ccc1C)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H23N5O/c1-16-3-6-21(13-22(16)24-23(15-27)28-17(2)29-24)25(31)30-11-9-20(10-12-30)19-7-4-18(14-26)5-8-19/h3-8,13,20H,9-12H2,1-2H3,(H,28,29)
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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...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%