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Patent code US8871790

Compile Data Set for Download or QSAR

Found 475 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


(Homo sapiens (Human))		BDBM137319
PNG
(US8871790, 405)
Show SMILES Cc1cc(C2CCC2)c(cc1C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N)-c1nc2CCOCc2[nH]1
Show InChI InChI=1S/C30H31FN4O2/c1-19-15-24(21-3-2-4-21)25(28-33-26-9-14-37-18-27(26)34-28)16-23(19)29(36)35-12-10-30(31,11-13-35)22-7-5-20(17-32)6-8-22/h5-8,15-16,21H,2-4,9-14,18H2,1H3,(H,33,34)
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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))		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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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))		BDBM137039
PNG
(US8871790, 105)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)N1CCCC1
Show InChI InChI=1S/C31H31FN6O/c1-20-15-21(2)25(30(39)38-13-9-31(32,10-14-38)23-7-5-22(18-33)6-8-23)16-24(20)29-35-26-17-28(34-19-27(26)36-29)37-11-3-4-12-37/h5-8,15-17,19H,3-4,9-14H2,1-2H3,(H,35,36)
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n/an/a 15n/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))		BDBM137177
PNG
(US8871790, 245)
Show SMILES CCc1cnc([nH]1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
Show InChI InChI=1S/C29H32N4O/c1-3-24-18-31-28(32-24)27-16-25(19(2)15-26(27)23-5-4-6-23)29(34)33-13-11-22(12-14-33)21-9-7-20(17-30)8-10-21/h7-10,15-16,18,22-23H,3-6,11-14H2,1-2H3,(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...

US Patent US8871790 (2014)


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


(Homo sapiens (Human))		BDBM137179
PNG
(US8871790, 247)
Show SMILES COCc1cnc([nH]1)-c1cc(C(=O)N2CCC(F)(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
Show InChI InChI=1S/C29H31FN4O2/c1-19-14-25(21-4-3-5-21)26(27-32-17-23(33-27)18-36-2)15-24(19)28(35)34-12-10-29(30,11-13-34)22-8-6-20(16-31)7-9-22/h6-9,14-15,17,21H,3-5,10-13,18H2,1-2H3,(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...

US Patent US8871790 (2014)


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


(Homo sapiens (Human))		BDBM137320
PNG
(US8871790, 406)
Show SMILES CN1CCc2nc([nH]c2C1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
Show InChI InChI=1S/C31H35N5O/c1-20-16-26(24-4-3-5-24)27(30-33-28-12-13-35(2)19-29(28)34-30)17-25(20)31(37)36-14-10-23(11-15-36)22-8-6-21(18-32)7-9-22/h6-9,16-17,23-24H,3-5,10-15,19H2,1-2H3,(H,33,34)
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n/an/a 20n/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))		BDBM137323
PNG
(US8871790, 409)
Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
Show InChI InChI=1S/C32H35N5O3/c1-20-16-26(24-4-3-5-24)27(30-34-28-12-15-37(32(39)40-2)19-29(28)35-30)17-25(20)31(38)36-13-10-23(11-14-36)22-8-6-21(18-33)7-9-22/h6-9,16-17,23-24H,3-5,10-15,19H2,1-2H3,(H,34,35)
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n/an/a 20n/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))		BDBM137336
PNG
(US8871790, 422)
Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(ccc1C1CC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H31N5O3/c1-38-30(37)35-15-12-26-27(18-35)33-28(32-26)25-16-23(8-9-24(25)22-6-7-22)29(36)34-13-10-21(11-14-34)20-4-2-19(17-31)3-5-20/h2-5,8-9,16,21-22H,6-7,10-15,18H2,1H3,(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...

US Patent US8871790 (2014)


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


(Homo sapiens (Human))		BDBM137334
PNG
(US8871790, 420)
Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(ccc1C1CCC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H32FN5O3/c1-40-30(39)37-14-11-26-27(19-37)35-28(34-26)25-17-22(7-10-24(25)21-3-2-4-21)29(38)36-15-12-31(32,13-16-36)23-8-5-20(18-33)6-9-23/h5-10,17,21H,2-4,11-16,19H2,1H3,(H,34,35)
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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))		BDBM137087
PNG
(US8871790, 155)
Show SMILES Cc1cc(C2CCC2)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nnc(CO)[nH]1
Show InChI InChI=1S/C27H29N5O2/c1-17-13-23(21-3-2-4-21)24(26-29-25(16-33)30-31-26)14-22(17)27(34)32-11-9-20(10-12-32)19-7-5-18(15-28)6-8-19/h5-8,13-14,20-21,33H,2-4,9-12,16H2,1H3,(H,29,30,31)
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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...

US Patent US8871790 (2014)


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


(Homo sapiens (Human))		BDBM137331
PNG
(US8871790, 417)
Show SMILES CN1CCc2nc([nH]c2C1)-c1cc(ccc1C1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H33N5O/c1-34-14-13-27-28(19-34)33-29(32-27)26-17-24(9-10-25(26)23-3-2-4-23)30(36)35-15-11-22(12-16-35)21-7-5-20(18-31)6-8-21/h5-10,17,22-23H,2-4,11-16,19H2,1H3,(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...

US Patent US8871790 (2014)


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


(Homo sapiens (Human))		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 22n/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))		BDBM137233
PNG
(US8871790, 312)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H28FN5O2/c1-20-3-6-22(17-25(20)33-27(36)23-7-10-26(32-19-23)34-13-2-14-34)28(37)35-15-11-29(30,12-16-35)24-8-4-21(18-31)5-9-24/h3-10,17,19H,2,11-16H2,1H3,(H,33,36)
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n/an/a 25n/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))		BDBM137031
PNG
(US8871790, 97)
Show SMILES CC(C)C(=O)N1CCc2nc([nH]c2C1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C31H35N5O2/c1-19(2)30(37)36-14-11-27-28(18-36)34-29(33-27)25-16-26(21(4)15-20(25)3)31(38)35-12-9-24(10-13-35)23-7-5-22(17-32)6-8-23/h5-8,15-16,19,24H,9-14,18H2,1-4H3,(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))		BDBM136993
PNG
(US8871790, 58)
Show SMILES CCc1cc(C)c(cc1NC(=O)c1ccc(nc1)N1CCOCC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C32H34FN5O3/c1-3-24-18-22(2)27(31(40)38-12-10-32(33,11-13-38)26-7-4-23(20-34)5-8-26)19-28(24)36-30(39)25-6-9-29(35-21-25)37-14-16-41-17-15-37/h4-9,18-19,21H,3,10-17H2,1-2H3,(H,36,39)
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n/an/a 25n/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))		BDBM137225
PNG
(US8871790, 297)
Show SMILES CC(C)CNC(=O)Nc1cc(ccc1C)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H29FN4O2/c1-17(2)16-28-24(32)29-22-14-20(7-4-18(22)3)23(31)30-12-10-25(26,11-13-30)21-8-5-19(15-27)6-9-21/h4-9,14,17H,10-13,16H2,1-3H3,(H2,28,29,32)
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n/an/a 25n/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))		BDBM137345
PNG
(US8871790, 431)
Show SMILES CC(C)N1CCc2nc([nH]c2CC1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C31H37N5O/c1-20(2)35-15-11-28-29(12-16-35)34-30(33-28)26-18-27(22(4)17-21(26)3)31(37)36-13-9-25(10-14-36)24-7-5-23(19-32)6-8-24/h5-8,17-18,20,25H,9-16H2,1-4H3,(H,33,34)
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n/an/a 25n/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))		BDBM137306
PNG
(US8871790, 392)
Show SMILES Cc1cc(C2CCC2)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2CCOCc2[nH]1
Show InChI InChI=1S/C30H32N4O2/c1-19-15-25(23-3-2-4-23)26(29-32-27-11-14-36-18-28(27)33-29)16-24(19)30(35)34-12-9-22(10-13-34)21-7-5-20(17-31)6-8-21/h5-8,15-16,22-23H,2-4,9-14,18H2,1H3,(H,32,33)
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n/an/a 25n/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))		BDBM137030
PNG
(US8871790, 96)
Show SMILES CCC(=O)N1CCc2nc([nH]c2C1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C30H33N5O2/c1-4-28(36)35-14-11-26-27(18-35)33-29(32-26)24-16-25(20(3)15-19(24)2)30(37)34-12-9-23(10-13-34)22-7-5-21(17-31)6-8-22/h5-8,15-16,23H,4,9-14,18H2,1-3H3,(H,32,33)
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n/an/a 30n/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))		BDBM137401
PNG
(US8871790, 488)
Show SMILES O=C(N[C@H]1CCOC1)Nc1cc(ccc1C1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H32N4O3/c29-17-19-4-6-20(7-5-19)21-10-13-32(14-11-21)27(33)23-8-9-25(22-2-1-3-22)26(16-23)31-28(34)30-24-12-15-35-18-24/h4-9,16,21-22,24H,1-3,10-15,18H2,(H2,30,31,34)/t24-/m0/s1
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n/an/a 30n/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))		BDBM137005
PNG
(US8871790, 71)
Show SMILES Cc1ccc(cc1NC(=O)NC1CCCC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H29FN4O2/c1-18-6-9-20(16-23(18)30-25(33)29-22-4-2-3-5-22)24(32)31-14-12-26(27,13-15-31)21-10-7-19(17-28)8-11-21/h6-11,16,22H,2-5,12-15H2,1H3,(H2,29,30,33)
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n/an/a 30n/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))		BDBM136992
PNG
(US8871790, 57)
Show SMILES FC1(CCN(CC1)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(nc2)N2CCC2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H25ClFN5O2/c29-23-8-4-20(16-24(23)33-26(36)21-5-9-25(32-18-21)34-12-1-13-34)27(37)35-14-10-28(30,11-15-35)22-6-2-19(17-31)3-7-22/h2-9,16,18H,1,10-15H2,(H,33,36)
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n/an/a 30n/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))		BDBM137029
PNG
(US8871790, 95)
Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C29H31N5O3/c1-18-14-19(2)24(15-23(18)27-31-25-10-13-34(29(36)37-3)17-26(25)32-27)28(35)33-11-8-22(9-12-33)21-6-4-20(16-30)5-7-21/h4-7,14-15,22H,8-13,17H2,1-3H3,(H,31,32)
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n/an/a 30n/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))		BDBM137405
PNG
(US8871790, 492)
Show SMILES O=C(NC[C@H]1CCCO1)Nc1cc(ccc1C1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H34N4O3/c30-18-20-6-8-21(9-7-20)22-12-14-33(15-13-22)28(34)24-10-11-26(23-3-1-4-23)27(17-24)32-29(35)31-19-25-5-2-16-36-25/h6-11,17,22-23,25H,1-5,12-16,19H2,(H2,31,32,35)/t25-/m1/s1
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n/an/a 30n/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))		BDBM137313
PNG
(US8871790, 399)
Show SMILES CCc1cc(C)c(cc1-c1nc2CCN(Cc2[nH]1)C(C)=O)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H32FN5O2/c1-4-22-15-19(2)24(16-25(22)28-33-26-9-12-36(20(3)37)18-27(26)34-28)29(38)35-13-10-30(31,11-14-35)23-7-5-21(17-32)6-8-23/h5-8,15-16H,4,9-14,18H2,1-3H3,(H,33,34)
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n/an/a 30n/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))		BDBM137155
PNG
(US8871790, 223)
Show SMILES COc1nnc([nH]1)-c1cc(C(=O)N2CCC(F)(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
Show InChI InChI=1S/C27H28FN5O2/c1-17-14-22(19-4-3-5-19)23(24-30-26(35-2)32-31-24)15-21(17)25(34)33-12-10-27(28,11-13-33)20-8-6-18(16-29)7-9-20/h6-9,14-15,19H,3-5,10-13H2,1-2H3,(H,30,31,32)
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n/an/a 30n/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))		BDBM137242
PNG
(US8871790, 321)
Show SMILES FC1(CCN(CC1)C(=O)c1ccc(Cl)c(NC(=O)NC2CCOC2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24ClFN4O3/c25-20-6-3-17(13-21(20)29-23(32)28-19-7-12-33-15-19)22(31)30-10-8-24(26,9-11-30)18-4-1-16(14-27)2-5-18/h1-6,13,19H,7-12,15H2,(H2,28,29,32)
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n/an/a 30n/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))		BDBM137023
PNG
(US8871790, 89)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2CCN(Cc2[nH]1)C(=O)C1CC1
Show InChI InChI=1S/C31H33N5O2/c1-19-15-20(2)26(31(38)35-12-9-23(10-13-35)22-5-3-21(17-32)4-6-22)16-25(19)29-33-27-11-14-36(18-28(27)34-29)30(37)24-7-8-24/h3-6,15-16,23-24H,7-14,18H2,1-2H3,(H,33,34)
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n/an/a 30n/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))		BDBM137167
PNG
(US8871790, 235)
Show SMILES CCc1ncc([nH]1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
Show InChI InChI=1S/C29H32N4O/c1-3-28-31-18-27(32-28)26-16-24(19(2)15-25(26)23-5-4-6-23)29(34)33-13-11-22(12-14-33)21-9-7-20(17-30)8-10-21/h7-10,15-16,18,22-23H,3-6,11-14H2,1-2H3,(H,31,32)
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n/an/a 30n/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))		BDBM137088
PNG
(US8871790, 156)
Show SMILES COCCc1nnc([nH]1)-c1cc(C(=O)N2CCC(F)(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
Show InChI InChI=1S/C29H32FN5O2/c1-19-16-24(21-4-3-5-21)25(27-32-26(33-34-27)10-15-37-2)17-23(19)28(36)35-13-11-29(30,12-14-35)22-8-6-20(18-31)7-9-22/h6-9,16-17,21H,3-5,10-15H2,1-2H3,(H,32,33,34)
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n/an/a 30n/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))		BDBM137182
PNG
(US8871790, 250)
Show SMILES Cc1cnc([nH]1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1
Show InChI InChI=1S/C28H30N4O/c1-18-14-25(23-4-3-5-23)26(27-30-17-19(2)31-27)15-24(18)28(33)32-12-10-22(11-13-32)21-8-6-20(16-29)7-9-21/h6-9,14-15,17,22-23H,3-5,10-13H2,1-2H3,(H,30,31)
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n/an/a 30n/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))		BDBM137328
PNG
(US8871790, 414)
Show SMILES FC1(CCN(CC1)C(=O)c1ccc(C2CCC2)c(c1)-c1nc2CCOCc2[nH]1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H29FN4O2/c30-29(22-7-4-19(17-31)5-8-22)11-13-34(14-12-29)28(35)21-6-9-23(20-2-1-3-20)24(16-21)27-32-25-10-15-36-18-26(25)33-27/h4-9,16,20H,1-3,10-15,18H2,(H,32,33)
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n/an/a 33n/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))		BDBM137325
PNG
(US8871790, 411)
Show SMILES CCc1cc(C2CC2)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2CCN(Cc2[nH]1)C(=O)OC
Show InChI InChI=1S/C32H35N5O3/c1-3-21-16-25(24-8-9-24)27(30-34-28-12-15-37(32(39)40-2)19-29(28)35-30)17-26(21)31(38)36-13-10-23(11-14-36)22-6-4-20(18-33)5-7-22/h4-7,16-17,23-24H,3,8-15,19H2,1-2H3,(H,34,35)
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n/an/a 35n/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))		BDBM137037
PNG
(US8871790, 103)
Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(ccc1C)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H29N5O3/c1-18-3-6-22(15-23(18)26-30-24-11-14-33(28(35)36-2)17-25(24)31-26)27(34)32-12-9-21(10-13-32)20-7-4-19(16-29)5-8-20/h3-8,15,21H,9-14,17H2,1-2H3,(H,30,31)
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n/an/a 35n/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))		BDBM137012
PNG
(US8871790, 78)
Show SMILES Cc1ccc(cc1NC(=O)NC[C@H]1CCCO1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C26H29FN4O3/c1-18-4-7-20(15-23(18)30-25(33)29-17-22-3-2-14-34-22)24(32)31-12-10-26(27,11-13-31)21-8-5-19(16-28)6-9-21/h4-9,15,22H,2-3,10-14,17H2,1H3,(H2,29,30,33)/t22-/m1/s1
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n/an/a 35n/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))		BDBM136990
PNG
(US8871790, 55)
Show SMILES CCc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H30FN5O2/c1-2-22-6-7-23(18-26(22)34-28(37)24-8-11-27(33-20-24)35-14-3-15-35)29(38)36-16-12-30(31,13-17-36)25-9-4-21(19-32)5-10-25/h4-11,18,20H,2-3,12-17H2,1H3,(H,34,37)
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n/an/a 35n/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))		BDBM137344
PNG
(US8871790, 430)
Show SMILES COC(=O)N1CCc2nc([nH]c2CC1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C
Show InChI InChI=1S/C30H33N5O3/c1-19-16-20(2)25(29(36)34-12-8-23(9-13-34)22-6-4-21(18-31)5-7-22)17-24(19)28-32-26-10-14-35(30(37)38-3)15-11-27(26)33-28/h4-7,16-17,23H,8-15H2,1-3H3,(H,32,33)
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n/an/a 35n/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))		BDBM137326
PNG
(US8871790, 412)
Show SMILES CCc1cc(C2CC2)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2CCN(C)Cc2[nH]1
Show InChI InChI=1S/C31H35N5O/c1-3-21-16-25(24-8-9-24)27(30-33-28-12-13-35(2)19-29(28)34-30)17-26(21)31(37)36-14-10-23(11-15-36)22-6-4-20(18-32)5-7-22/h4-7,16-17,23-24H,3,8-15,19H2,1-2H3,(H,33,34)
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n/an/a 35n/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))		BDBM137010
PNG
(US8871790, 76)
Show SMILES CCc1ccc(cc1NC(=O)NC1CCOC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H29FN4O3/c1-2-19-5-6-20(15-23(19)30-25(33)29-22-9-14-34-17-22)24(32)31-12-10-26(27,11-13-31)21-7-3-18(16-28)4-8-21/h3-8,15,22H,2,9-14,17H2,1H3,(H2,29,30,33)
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n/an/a 35n/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))		BDBM137258
PNG
(US8871790, 338)
Show SMILES CCc1cc(C)c(cc1NC(=O)NC[C@H]1CCCO1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H33FN4O3/c1-3-21-15-19(2)24(16-25(21)32-27(35)31-18-23-5-4-14-36-23)26(34)33-12-10-28(29,11-13-33)22-8-6-20(17-30)7-9-22/h6-9,15-16,23H,3-5,10-14,18H2,1-2H3,(H2,31,32,35)/t23-/m1/s1
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n/an/a 35n/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))		BDBM137312
PNG
(US8871790, 398)
Show SMILES CCc1cc(C)c(cc1-c1nc2CCN(Cc2[nH]1)C(C)=O)C(=O)N1CCC(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H33N5O2/c1-4-22-15-19(2)25(16-26(22)29-32-27-11-14-35(20(3)36)18-28(27)33-29)30(37)34-12-9-24(10-13-34)23-7-5-21(17-31)6-8-23/h5-8,15-16,24H,4,9-14,18H2,1-3H3,(H,32,33)
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n/an/a 35n/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))		BDBM50426447
PNG
(CHEMBL2322358)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(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)29(36)33-26-10-11-28(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 35n/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))		BDBM137239
PNG
(US8871790, 318)
Show SMILES Cc1ccc(cc1NC(=O)NC1CCOC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H27FN4O3/c1-17-2-5-19(14-22(17)29-24(32)28-21-8-13-33-16-21)23(31)30-11-9-25(26,10-12-30)20-6-3-18(15-27)4-7-20/h2-7,14,21H,8-13,16H2,1H3,(H2,28,29,32)
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n/an/a 37n/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))		BDBM137004
PNG
(US8871790, 70)
Show SMILES Cc1ccc(cc1NC(=O)NC1CCCOC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H29FN4O3/c1-18-4-7-20(15-23(18)30-25(33)29-22-3-2-14-34-17-22)24(32)31-12-10-26(27,11-13-31)21-8-5-19(16-28)6-9-21/h4-9,15,22H,2-3,10-14,17H2,1H3,(H2,29,30,33)
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n/an/a 37n/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))		BDBM137350
PNG
(US8871790, 436)
Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2CCN(CCF)CCc2[nH]1
Show InChI InChI=1S/C30H34FN5O/c1-20-17-21(2)26(18-25(20)29-33-27-9-12-35(16-11-31)13-10-28(27)34-29)30(37)36-14-7-24(8-15-36)23-5-3-22(19-32)4-6-23/h3-6,17-18,24H,7-16H2,1-2H3,(H,33,34)
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n/an/a 40n/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))		BDBM137347
PNG
(US8871790, 433)
Show SMILES CC(C)N1CCc2nc([nH]c2C1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C1CC1
Show InChI InChI=1S/C32H37N5O/c1-20(2)37-15-12-29-30(19-37)35-31(34-29)28-17-26(21(3)16-27(28)25-8-9-25)32(38)36-13-10-24(11-14-36)23-6-4-22(18-33)5-7-23/h4-7,16-17,20,24-25H,8-15,19H2,1-3H3,(H,34,35)
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n/an/a 40n/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))		BDBM137007
PNG
(US8871790, 73)
Show SMILES Cc1ccc(cc1NC(=O)N[C@@H]1CCOC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H27FN4O3/c1-17-2-5-19(14-22(17)29-24(32)28-21-8-13-33-16-21)23(31)30-11-9-25(26,10-12-30)20-6-3-18(15-27)4-7-20/h2-7,14,21H,8-13,16H2,1H3,(H2,28,29,32)/t21-/m1/s1
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n/an/a 40n/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))		BDBM137358
PNG
(US8871790, 444)
Show SMILES FC1(CCN(CC1)C(=O)c1ccc(C2CCC2)c(NC(=O)N[C@H]2CCOC2)c1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H31FN4O3/c29-28(22-7-4-19(17-30)5-8-22)11-13-33(14-12-28)26(34)21-6-9-24(20-2-1-3-20)25(16-21)32-27(35)31-23-10-15-36-18-23/h4-9,16,20,23H,1-3,10-15,18H2,(H2,31,32,35)/t23-/m0/s1
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n/an/a 40n/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))		BDBM137329
PNG
(US8871790, 415)
Show SMILES CC1COCc2[nH]c(nc12)-c1cc(ccc1C1CCC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N
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n/an/a 40n/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
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* indicates data uncertainty>20%