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Compile Data Set for Download or QSAR

Found 3417 hits Enz. Inhib. hit(s) with Target = 'Protein farnesyltransferase'   
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
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13381
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc2cccnc12)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H21N5O/c1-34-19-32-17-27(34)29(23-10-7-20(15-30)8-11-23)35-18-24-12-9-21(16-31)14-26(24)25-6-2-4-22-5-3-13-33-28(22)25/h2-14,17,19,29H,18H2,1H3
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n/an/a 5.20n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13380
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc2ccccc12)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H22N4O/c1-34-20-33-18-29(34)30(24-12-9-21(16-31)10-13-24)35-19-25-14-11-22(17-32)15-28(25)27-8-4-6-23-5-2-3-7-26(23)27/h2-15,18,20,30H,19H2,1H3
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n/an/a 0.940n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13383
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O2/c1-31-18-30-16-26(31)27(21-9-6-19(14-28)7-10-21)33-17-23-11-8-20(15-29)12-25(23)22-4-3-5-24(13-22)32-2/h3-13,16,18,27H,17H2,1-2H3
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n/an/a 0.75n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13384
PNG
(4-{[(R)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)...)
Show SMILES COc1cccc(c1)-c1cc(ccc1CO[C@@H](c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O2/c1-31-18-30-16-26(31)27(21-9-6-19(14-28)7-10-21)33-17-23-11-8-20(15-29)12-25(23)22-4-3-5-24(13-22)32-2/h3-13,16,18,27H,17H2,1-2H3/t27-/m1/s1
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n/an/a 0.350n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13385
PNG
(4-{[(S)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)...)
Show SMILES COc1cccc(c1)-c1cc(ccc1CO[C@H](c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O2/c1-31-18-30-16-26(31)27(21-9-6-19(14-28)7-10-21)33-17-23-11-8-20(15-29)12-25(23)22-4-3-5-24(13-22)32-2/h3-13,16,18,27H,17H2,1-2H3/t27-/m0/s1
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n/an/a 21n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13386
PNG
(3-(2H-1,3-benzodioxol-5-yl)-4-{[(4-cyanophenyl)(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20N4O3/c1-31-16-30-14-24(31)27(20-5-2-18(12-28)3-6-20)32-15-22-7-4-19(13-29)10-23(22)21-8-9-25-26(11-21)34-17-33-25/h2-11,14,16,27H,15,17H2,1H3
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n/an/a 0.870n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13387
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc2OC(F)(F)Oc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H18F2N4O3/c1-33-16-32-14-23(33)26(19-5-2-17(12-30)3-6-19)34-15-21-7-4-18(13-31)10-22(21)20-8-9-24-25(11-20)36-27(28,29)35-24/h2-11,14,16,26H,15H2,1H3
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n/an/a 1.10n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13388
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES CCOc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H24N4O2/c1-3-33-25-6-4-5-23(14-25)26-13-21(16-30)9-12-24(26)18-34-28(27-17-31-19-32(27)2)22-10-7-20(15-29)8-11-22/h4-14,17,19,28H,3,18H2,1-2H3
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n/an/a 0.690n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13389
PNG
(4-{[(4-cyanophenyl)methoxy](1-methyl-1H-imidazol-5...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H22N4O/c1-34-20-33-18-29(34)30(35-19-22-11-9-21(16-31)10-12-22)24-13-14-25(17-32)28(15-24)27-8-4-6-23-5-2-3-7-26(23)27/h2-15,18,20,30H,19H2,1H3
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n/an/a 0.300n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13374
PNG
(4-({[4-chloro-2-(2-chlorophenyl)phenyl]methoxy}(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(Cl)cc1-c1ccccc1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H19Cl2N3O/c1-30-16-29-14-24(30)25(18-8-6-17(13-28)7-9-18)31-15-19-10-11-20(26)12-22(19)21-4-2-3-5-23(21)27/h2-12,14,16,25H,15H2,1H3
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n/an/a 8.90n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13375
PNG
(4-({[4-chloro-2-(3-chlorophenyl)phenyl]methoxy}(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H19Cl2N3O/c1-30-16-29-14-24(30)25(18-7-5-17(13-28)6-8-18)31-15-20-9-10-22(27)12-23(20)19-3-2-4-21(26)11-19/h2-12,14,16,25H,15H2,1H3
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n/an/a 0.800n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13376
PNG
(4-({[4-chloro-2-(4-chlorophenyl)phenyl]methoxy}(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(Cl)cc1-c1ccc(Cl)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H19Cl2N3O/c1-30-16-29-14-24(30)25(19-4-2-17(13-28)3-5-19)31-15-20-8-11-22(27)12-23(20)18-6-9-21(26)10-7-18/h2-12,14,16,25H,15H2,1H3
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n/an/a 4.80n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13377
PNG
(4-({[4-chloro-2-(3-methoxyphenyl)phenyl]methoxy}(1...)
Show SMILES COc1cccc(c1)-c1cc(Cl)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H22ClN3O2/c1-30-17-29-15-25(30)26(19-8-6-18(14-28)7-9-19)32-16-21-10-11-22(27)13-24(21)20-4-3-5-23(12-20)31-2/h3-13,15,17,26H,16H2,1-2H3
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n/an/a 0.910n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13378
PNG
(4-({[4-chloro-2-(3-ethoxyphenyl)phenyl]methoxy}(1-...)
Show SMILES CCOc1cccc(c1)-c1cc(Cl)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H24ClN3O2/c1-3-32-24-6-4-5-21(13-24)25-14-23(28)12-11-22(25)17-33-27(26-16-30-18-31(26)2)20-9-7-19(15-29)8-10-20/h4-14,16,18,27H,3,17H2,1-2H3
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n/an/a 1.10n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13379
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccccc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20N4O/c1-30-18-29-16-25(30)26(22-10-7-19(14-27)8-11-22)31-17-23-12-9-20(15-28)13-24(23)21-5-3-2-4-6-21/h2-13,16,18,26H,17H2,1H3
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n/an/a 1.30n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13382
PNG
(3-(3-chlorophenyl)-4-{[(4-cyanophenyl)(1-methyl-1H...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19ClN4O/c1-31-17-30-15-25(31)26(20-8-5-18(13-28)6-9-20)32-16-22-10-7-19(14-29)11-24(22)21-3-2-4-23(27)12-21/h2-12,15,17,26H,16H2,1H3
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n/an/a 0.870n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyltransferase (PFTase)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM233133
PNG
(8-Epi-xanthatin)
Show SMILES C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O
Show InChI InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14+/m0/s1
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n/an/a 6.40E+4n/an/an/an/a7.530



UFR des Sciences Pharmaceutiques et Ingénierie de la Santé



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on a Wallac Victor fluorimeter from P...


J Enzyme Inhib Med Chem 25: 172-9 (2010)


Article DOI: 10.3109/14756360903169592
BindingDB Entry DOI: 10.7270/Q2JS9PBP
More data for this
Ligand-Target Pair
Protein farnesyltransferase (PFTase)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM233134
PNG
(8-Epi-xanthatin-1,5α-epoxide)
Show SMILES C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@H]2O[C@@]12\C=C\C(C)=O
Show InChI InChI=1S/C15H18O4/c1-8-6-12-11(10(3)14(17)18-12)7-13-15(8,19-13)5-4-9(2)16/h4-5,8,11-13H,3,6-7H2,1-2H3/b5-4+/t8-,11+,12+,13+,15-/m0/s1
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n/an/a 5.80E+4n/an/an/an/a7.530



UFR des Sciences Pharmaceutiques et Ingénierie de la Santé



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on a Wallac Victor fluorimeter from P...


J Enzyme Inhib Med Chem 25: 172-9 (2010)


Article DOI: 10.3109/14756360903169592
BindingDB Entry DOI: 10.7270/Q2JS9PBP
More data for this
Ligand-Target Pair
Protein farnesyltransferase (PFTase)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM233135
PNG
(6-O-angeloylprenolin)
Show SMILES C\C=C(\C)C(=O)O[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C)OC(=O)[C@H]2C
Show InChI InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6-/t11-,12+,13+,14-,16+,17+,20+/m1/s1
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n/an/a 1.88E+4n/an/an/an/a7.530



UFR des Sciences Pharmaceutiques et Ingénierie de la Santé



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on a Wallac Victor fluorimeter from P...


J Enzyme Inhib Med Chem 25: 172-9 (2010)


Article DOI: 10.3109/14756360903169592
BindingDB Entry DOI: 10.7270/Q2JS9PBP
More data for this
Ligand-Target Pair
Protein farnesyltransferase (PFTase)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM233136
PNG
(Arteminolide C')
Show SMILES C\C=C(\C)C(=O)O[C@H]1C[C@H](C)[C@H]2[C@@H]([C@H]3OC(=O)C4(CC56C=C[C@]4(C)C5[C@H]4OC(=O)C(=C)[C@@H]4CC[C@@]6(C)O)[C@H]13)C(C)=CC2=O
Show InChI InChI=1S/C35H42O8/c1-8-16(2)29(37)41-22-14-18(4)23-21(36)13-17(3)24(23)27-25(22)35(31(39)43-27)15-34-12-11-32(35,6)28(34)26-20(9-10-33(34,7)40)19(5)30(38)42-26/h8,11-13,18,20,22-28,40H,5,9-10,14-15H2,1-4,6-7H3/b16-8-/t18-,20-,22-,23+,24-,25+,26-,27+,28?,32+,33+,34?,35?/m0/s1
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n/an/a 950n/an/an/an/a7.530



UFR des Sciences Pharmaceutiques et Ingénierie de la Santé



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on a Wallac Victor fluorimeter from P...


J Enzyme Inhib Med Chem 25: 172-9 (2010)


Article DOI: 10.3109/14756360903169592
BindingDB Entry DOI: 10.7270/Q2JS9PBP
More data for this
Ligand-Target Pair
Protein farnesyltransferase (PFTase)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM233137
PNG
(Arteminolide C)
Show SMILES C\C=C(\C)C(=O)O[C@H]1C[C@H](C)[C@H]2[C@@H]([C@H]3OC(=O)C4(CC56C=C[C@]4(C)C5[C@H]4OC(=O)C(C)[C@@H]4CC[C@@]6(C)O)[C@H]13)C(C)=CC2=O
Show InChI InChI=1S/C35H44O8/c1-8-16(2)29(37)41-22-14-18(4)23-21(36)13-17(3)24(23)27-25(22)35(31(39)43-27)15-34-12-11-32(35,6)28(34)26-20(9-10-33(34,7)40)19(5)30(38)42-26/h8,11-13,18-20,22-28,40H,9-10,14-15H2,1-7H3/b16-8-/t18-,19?,20-,22-,23+,24-,25+,26-,27+,28?,32+,33+,34?,35?/m0/s1
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n/an/a 1.00E+3n/an/an/an/a7.530



UFR des Sciences Pharmaceutiques et Ingénierie de la Santé



Assay Description
Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on a Wallac Victor fluorimeter from P...


J Enzyme Inhib Med Chem 25: 172-9 (2010)


Article DOI: 10.3109/14756360903169592
BindingDB Entry DOI: 10.7270/Q2JS9PBP
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM14445
PNG
(2-quinolone analog 21 | 4-[(1-{[4-(3-chlorophenyl)...)
Show SMILES Cn1c2ccc(Cn3cncc3COc3ccc(cc3)C#N)cc2c(cc1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H21ClN4O2/c1-32-27-10-7-20(11-26(27)25(13-28(32)34)21-3-2-4-22(29)12-21)16-33-18-31-15-23(33)17-35-24-8-5-19(14-30)6-9-24/h2-13,15,18H,16-17H2,1H3
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n/an/a>1.00E+3n/an/an/an/a7.537



Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 15: 2033-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.062
BindingDB Entry DOI: 10.7270/Q23J3B61
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM14446
PNG
(2-quinolone analog 22 | 4-{[(1-{[4-(3-chlorophenyl...)
Show SMILES Cn1c2ccc(Cn3cncc3COCc3ccc(cc3)C#N)cc2c(cc1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H23ClN4O2/c1-33-28-10-9-22(11-27(28)26(13-29(33)35)23-3-2-4-24(30)12-23)16-34-19-32-15-25(34)18-36-17-21-7-5-20(14-31)6-8-21/h2-13,15,19H,16-18H2,1H3
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n/an/a>1.00E+3n/an/an/an/a7.537



Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 15: 2033-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.062
BindingDB Entry DOI: 10.7270/Q23J3B61
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM14447
PNG
(2-quinolone analog 24 | 4-(3-chlorophenyl)-1-methy...)
Show SMILES Cn1c2ccc(Cn3cncc3Cn3ccc(=O)cc3)cc2c(cc1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H21ClN4O2/c1-29-25-6-5-18(11-24(25)23(13-26(29)33)19-3-2-4-20(27)12-19)15-31-17-28-14-21(31)16-30-9-7-22(32)8-10-30/h2-14,17H,15-16H2,1H3
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Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 15: 2033-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.062
BindingDB Entry DOI: 10.7270/Q23J3B61
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM14448
PNG
(1-[(1-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihy...)
Show SMILES Cn1c2ccc(Cn3cncc3Cn3ccc(c3)C#N)cc2c(cc1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H20ClN5O/c1-30-25-6-5-18(9-24(25)23(11-26(30)33)20-3-2-4-21(27)10-20)15-32-17-29-13-22(32)16-31-8-7-19(12-28)14-31/h2-11,13-14,17H,15-16H2,1H3
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Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 15: 2033-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.062
BindingDB Entry DOI: 10.7270/Q23J3B61
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM14449
PNG
(2-quinolone analog 25b | 4-(3-chlorophenyl)-1-meth...)
Show SMILES Cn1c2ccc(Cn3cncc3Cn3ccc(c3)C(=O)N3CCOCC3)cc2c(cc1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H28ClN5O3/c1-33-28-6-5-21(13-27(28)26(15-29(33)37)22-3-2-4-24(31)14-22)17-36-20-32-16-25(36)19-34-8-7-23(18-34)30(38)35-9-11-39-12-10-35/h2-8,13-16,18,20H,9-12,17,19H2,1H3
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Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 15: 2033-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.062
BindingDB Entry DOI: 10.7270/Q23J3B61
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM14450
PNG
(1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}met...)
Show SMILES N#Cc1cn(Cc2cncn2Cc2ccc(cc2)C#N)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C27H19N5/c28-12-20-8-10-21(11-9-20)15-32-19-30-14-24(32)17-31-16-23(13-29)27(18-31)26-7-3-5-22-4-1-2-6-25(22)26/h1-11,14,16,18-19H,15,17H2
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Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 15: 2033-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.062
BindingDB Entry DOI: 10.7270/Q23J3B61
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM14451
PNG
(1-{[1-(2H-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-...)
Show SMILES N#Cc1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C27H20N4O2/c28-11-21-14-30(16-25(21)24-7-3-5-20-4-1-2-6-23(20)24)15-22-12-29-17-31(22)13-19-8-9-26-27(10-19)33-18-32-26/h1-10,12,14,16-17H,13,15,18H2
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n/an/a 6.10n/an/an/an/a7.537



Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 15: 2033-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.062
BindingDB Entry DOI: 10.7270/Q23J3B61
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM14452
PNG
(4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-...)
Show SMILES N#Cc1ccc(Cn2cncc2Cn2ccc3cc(ccc23)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H22N4/c31-17-22-8-10-23(11-9-22)19-34-21-32-18-27(34)20-33-15-14-26-16-25(12-13-30(26)33)29-7-3-5-24-4-1-2-6-28(24)29/h1-16,18,21H,19-20H2
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n/an/a 0.930n/an/an/an/a7.537



Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 15: 2033-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.062
BindingDB Entry DOI: 10.7270/Q23J3B61
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM14453
PNG
(1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}met...)
Show SMILES N#Cc1ccc(Cn2cncc2Cn2ccc3c(C#N)c(ccc23)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C31H21N5/c32-16-22-8-10-23(11-9-22)19-36-21-34-18-25(36)20-35-15-14-29-30(17-33)28(12-13-31(29)35)27-7-3-5-24-4-1-2-6-26(24)27/h1-15,18,21H,19-20H2
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n/an/a 0.150n/an/an/an/a7.537



Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 15: 2033-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.062
BindingDB Entry DOI: 10.7270/Q23J3B61
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM13998
PNG
((20R)-19,20,21,22-Tetrahydro-19-oxo-17H-18,20-etha...)
Show SMILES O=C1[C@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C23H21N5O2/c24-10-18-5-4-17-9-22(18)30-20-3-1-2-16(8-20)13-27-7-6-21(23(27)29)26-12-19-11-25-15-28(19)14-17/h1-5,8-9,11,15,21,26H,6-7,12-14H2/t21-/m1/s1
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n/an/a 3.5n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM13999
PNG
((6S)-27-oxo-20-oxa-3,7,11,13-tetraazapentacyclo[19...)
Show SMILES O=C1[C@@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C23H21N5O2/c24-10-18-5-4-17-9-22(18)30-20-3-1-2-16(8-20)13-27-7-6-21(23(27)29)26-12-19-11-25-15-28(19)14-17/h1-5,8-9,11,15,21,26H,6-7,12-14H2/t21-/m0/s1
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n/an/a 54n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14000
PNG
((6R)-23-chloro-27-oxo-20-oxa-3,7,11,13-tetraazapen...)
Show SMILES Clc1cc2CN3CC[C@@H](NCc4cncn4Cc4ccc(C#N)c(Oc(c1)c2)c4)C3=O
Show InChI InChI=1S/C23H20ClN5O2/c24-18-5-16-6-20(8-18)31-22-7-15(1-2-17(22)9-25)12-29-14-26-10-19(29)11-27-21-3-4-28(13-16)23(21)30/h1-2,5-8,10,14,21,27H,3-4,11-13H2/t21-/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14001
PNG
((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...)
Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14001
PNG
((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...)
Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14003
PNG
((20R)-17-(3-Chlorophenyl)-19,20,21,22-tetrahydro-1...)
Show SMILES Clc1cccc(c1)C1N2CC[C@@H](NCc3cncn3Cc3ccc(C#N)c(Oc4cccc1c4)c3)C2=O
Show InChI InChI=1S/C29H24ClN5O2/c30-23-5-1-3-20(12-23)28-21-4-2-6-25(13-21)37-27-11-19(7-8-22(27)14-31)17-34-18-32-15-24(34)16-33-26-9-10-35(28)29(26)36/h1-8,11-13,15,18,26,28,33H,9-10,16-17H2/t26-,28?/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14003
PNG
((20R)-17-(3-Chlorophenyl)-19,20,21,22-tetrahydro-1...)
Show SMILES Clc1cccc(c1)C1N2CC[C@@H](NCc3cncn3Cc3ccc(C#N)c(Oc4cccc1c4)c3)C2=O
Show InChI InChI=1S/C29H24ClN5O2/c30-23-5-1-3-20(12-23)28-21-4-2-6-25(13-21)37-27-11-19(7-8-22(27)14-31)17-34-18-32-15-24(34)16-33-26-9-10-35(28)29(26)36/h1-8,11-13,15,18,26,28,33H,9-10,16-17H2/t26-,28?/m1/s1
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n/an/a 2.5n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14005
PNG
((20R)-19,20,21,22-Tetrahydro-5-methyl-19-oxo-17H-1...)
Show SMILES CC1c2ccc(C#N)c(Oc3cccc(CN4CC[C@@H](NCc5cncn15)C4=O)c3)c2
Show InChI InChI=1S/C24H23N5O2/c1-16-18-5-6-19(11-25)23(10-18)31-21-4-2-3-17(9-21)14-28-8-7-22(24(28)30)27-13-20-12-26-15-29(16)20/h2-6,9-10,12,15-16,22,27H,7-8,13-14H2,1H3/t16?,22-/m1/s1
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n/an/a 170n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14005
PNG
((20R)-19,20,21,22-Tetrahydro-5-methyl-19-oxo-17H-1...)
Show SMILES CC1c2ccc(C#N)c(Oc3cccc(CN4CC[C@@H](NCc5cncn15)C4=O)c3)c2
Show InChI InChI=1S/C24H23N5O2/c1-16-18-5-6-19(11-25)23(10-18)31-21-4-2-3-17(9-21)14-28-8-7-22(24(28)30)27-13-20-12-26-15-29(16)20/h2-6,9-10,12,15-16,22,27H,7-8,13-14H2,1H3/t16?,22-/m1/s1
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n/an/a 1.90n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14007
PNG
((6R)-24-bromo-27-oxo-20-oxa-3,7,11,13-tetraazapent...)
Show SMILES Brc1ccc2Oc3cc(Cn4cncc4CN[C@@H]4CCN(Cc1c2)C4=O)ccc3C#N
Show InChI InChI=1S/C23H20BrN5O2/c24-20-4-3-19-8-17(20)13-28-6-5-21(23(28)30)27-11-18-10-26-14-29(18)12-15-1-2-16(9-25)22(7-15)31-19/h1-4,7-8,10,14,21,27H,5-6,11-13H2/t21-/m1/s1
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n/an/a 1.40n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14008
PNG
((11R)-32-oxo-25-oxa-8,12,16,18-tetraazahexacyclo[2...)
Show SMILES O=C1[C@H]2CCN1c1ccccc1-c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C28H23N5O2/c29-14-21-9-8-19-12-27(21)35-23-5-3-4-20(13-23)24-6-1-2-7-26(24)33-11-10-25(28(33)34)31-16-22-15-30-18-32(22)17-19/h1-9,12-13,15,18,25,31H,10-11,16-17H2/t25-/m1/s1
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n/an/a 1.30n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14009
PNG
((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...)
Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m0/s1
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n/an/a 3.5n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14010
PNG
((20R)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...)
Show SMILES O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m1/s1
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n/an/a 1.60n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14011
PNG
((5S)-6-methyl-30-oxo-19-oxa-2,6,10,12-tetraazahexa...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@H]1C5=O)c4c3)c2
Show InChI InChI=1S/C27H23N5O2/c1-30-16-21-14-29-17-31(21)15-18-5-6-20(13-28)26(11-18)34-22-8-7-19-3-2-4-24(23(19)12-22)32-10-9-25(30)27(32)33/h2-8,11-12,14,17,25H,9-10,15-16H2,1H3/t25-/m0/s1
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n/an/a 4.90n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14012
PNG
((5S)-7,31-dioxo-20-oxa-2,6,11,13-tetraazahexacyclo...)
Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC(=O)N2)ccc4C#N)cc13
Show InChI InChI=1S/C27H21N5O3/c28-13-19-5-4-17-10-25(19)35-21-7-6-18-2-1-3-24(22(18)12-21)32-9-8-23(27(32)34)30-26(33)11-20-14-29-16-31(20)15-17/h1-7,10,12,14,16,23H,8-9,11,15H2,(H,30,33)/t23-/m0/s1
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n/an/a 2.10n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14434
PNG
(6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3
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n/an/a 7.90n/an/an/an/a7.522



Janssen Research Foundation



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified human enzyme to catalyze the reaction between [3H] FPP and a biotinylated peptid...


Cancer Res 61: 131-7 (2001)


BindingDB Entry DOI: 10.7270/Q20C4T2R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14434
PNG
(6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3
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n/an/a 0.860n/an/an/an/a7.522



Janssen Research Foundation



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified human enzyme to catalyze the reaction between [3H] FPP and a biotinylated peptid...


Cancer Res 61: 131-7 (2001)


BindingDB Entry DOI: 10.7270/Q20C4T2R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM17325
PNG
((2S)-2-[(4-{[butyl(2-cyclohexylethyl)amino]methyl}...)
Show SMILES CCCCN(CCC1CCCCC1)Cc1ccc(C(=O)N[C@@H](CCSC)C(O)=O)c(c1)-c1ccccc1C
Show InChI InChI=1S/C32H46N2O3S/c1-4-5-19-34(20-17-25-12-7-6-8-13-25)23-26-15-16-28(29(22-26)27-14-10-9-11-24(27)2)31(35)33-30(32(36)37)18-21-38-3/h9-11,14-16,22,25,30H,4-8,12-13,17-21,23H2,1-3H3,(H,33,35)(H,36,37)/t30-/m0/s1
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n/an/a 1.10n/an/an/an/a7.537



Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 13: 1359-62 (2003)


Article DOI: 10.1016/S0960-894X(03)00095-7
BindingDB Entry DOI: 10.7270/Q2QJ7FK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM17326
PNG
((2S)-2-[(1-{2-[benzyl(1,3-thiazol-5-ylmethyl)amino...)
Show SMILES CSCC[C@H](NC(=O)C1=C(CN(CC1)C(=O)CN(Cc1cncs1)Cc1ccccc1)c1ccccc1C)C(O)=O
Show InChI InChI=1S/C31H36N4O4S2/c1-22-8-6-7-11-25(22)27-19-35(14-12-26(27)30(37)33-28(31(38)39)13-15-40-2)29(36)20-34(18-24-16-32-21-41-24)17-23-9-4-3-5-10-23/h3-11,16,21,28H,12-15,17-20H2,1-2H3,(H,33,37)(H,38,39)/t28-/m0/s1
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n/an/a 2.5n/an/an/an/a7.537



Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 13: 1359-62 (2003)


Article DOI: 10.1016/S0960-894X(03)00095-7
BindingDB Entry DOI: 10.7270/Q2QJ7FK9
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM17327
PNG
((2S)-2-({1-[benzyl(1,3-thiazol-5-ylmethyl)carbamoy...)
Show SMILES CSCC[C@H](NC(=O)C1=C(CN(CC1)C(=O)N(Cc1cncs1)Cc1ccccc1)c1ccccc1C)C(O)=O
Show InChI InChI=1S/C30H34N4O4S2/c1-21-8-6-7-11-24(21)26-19-33(14-12-25(26)28(35)32-27(29(36)37)13-15-39-2)30(38)34(18-23-16-31-20-40-23)17-22-9-4-3-5-10-22/h3-11,16,20,27H,12-15,17-19H2,1-2H3,(H,32,35)(H,36,37)/t27-/m0/s1
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n/an/a 0.560n/an/an/an/a7.537



Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...


Bioorg Med Chem Lett 13: 1359-62 (2003)


Article DOI: 10.1016/S0960-894X(03)00095-7
BindingDB Entry DOI: 10.7270/Q2QJ7FK9
More data for this
Ligand-Target Pair
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