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PubMed code 16539374

Compile data set for download or QSAR
Found 16 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
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13361
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H38N4O6S2/c1-12(2)20(28-21(30)16(25)11-35)23(32)27-18(10-15-6-7-19(29)14(4)13(15)3)22(31)26-17(24(33)34)8-9-36-5/h6-7,12,16-18,20,29,35H,8-11,25H2,1-5H3,(H,26,31)(H,27,32)(H,28,30)(H,33,34)/t16-,17-,18-,20-/m0/s1
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n/an/a 100n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13373
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H34N4O5S2/c1-13(2)18(26-19(27)15(23)12-32)21(29)25-17(11-14-7-5-4-6-8-14)20(28)24-16(22(30)31)9-10-33-3/h4-8,13,15-18,32H,9-12,23H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t15-,16-,17-,18-/m0/s1
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n/an/a 600n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13358
PNG
((2S)-2-{[(2R)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpr...)
Show SMILES CSCC[C@H](NC(=O)[C@H]1CC2CCCCC2N1C(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H38N4O5S2/c1-12(2)18(25-19(27)14(23)11-32)21(29)26-16-7-5-4-6-13(16)10-17(26)20(28)24-15(22(30)31)8-9-33-3/h12-18,32H,4-11,23H2,1-3H3,(H,24,28)(H,25,27)(H,30,31)/t13?,14-,15-,16?,17+,18-/m0/s1
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n/an/a 1.00E+3n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13359
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(C)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H38N4O5S2/c1-13(2)20(28-21(29)17(25)12-34)23(31)27-19(11-16-7-6-14(3)10-15(16)4)22(30)26-18(24(32)33)8-9-35-5/h6-7,10,13,17-20,34H,8-9,11-12,25H2,1-5H3,(H,26,30)(H,27,31)(H,28,29)(H,32,33)/t17-,18-,19-,20-/m0/s1
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n/an/a 2.20E+3n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13363
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1cc(C)c(O)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H38N4O6S2/c1-12(2)20(28-21(30)16(25)11-35)23(32)27-18(10-15-8-14(4)19(29)9-13(15)3)22(31)26-17(24(33)34)6-7-36-5/h8-9,12,16-18,20,29,35H,6-7,10-11,25H2,1-5H3,(H,26,31)(H,27,32)(H,28,30)(H,33,34)/t16-,17-,18-,20-/m0/s1
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n/an/a 2.50E+3n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13360
PNG
((2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccc(C)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H38N4O5S2/c1-13(2)20(28-21(29)17(25)12-34)23(31)27-19(11-16-7-6-14(3)10-15(16)4)22(30)26-18(24(32)33)8-9-35-5/h6-7,10,13,17-20,34H,8-9,11-12,25H2,1-5H3,(H,26,30)(H,27,31)(H,28,29)(H,32,33)/t17-,18-,19+,20-/m0/s1
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n/an/a 4.30E+3n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13362
PNG
((2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H38N4O6S2/c1-12(2)20(28-21(30)16(25)11-35)23(32)27-18(10-15-6-7-19(29)14(4)13(15)3)22(31)26-17(24(33)34)8-9-36-5/h6-7,12,16-18,20,29,35H,8-11,25H2,1-5H3,(H,26,31)(H,27,32)(H,28,30)(H,33,34)/t16-,17-,18+,20-/m0/s1
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n/an/a 4.30E+3n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13365
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H36N4O6S2/c1-12(2)19(27-20(29)16(24)11-34)22(31)26-18(10-14-5-6-15(28)9-13(14)3)21(30)25-17(23(32)33)7-8-35-4/h5-6,9,12,16-19,28,34H,7-8,10-11,24H2,1-4H3,(H,25,30)(H,26,31)(H,27,29)(H,32,33)/t16-,17-,18-,19-/m0/s1
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n/an/a 4.30E+3n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13369
PNG
((2S)-2-[(2S)-3-(4-hydroxy-2,5-dimethylphenyl)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1cc(C)c(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC=O)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H38N4O7S2/c1-13(2)21(29-23(33)19(11-37)26-12-30)24(34)28-18(10-16-8-15(4)20(31)9-14(16)3)22(32)27-17(25(35)36)6-7-38-5/h8-9,12-13,17-19,21,31,37H,6-7,10-11H2,1-5H3,(H,26,30)(H,27,32)(H,28,34)(H,29,33)(H,35,36)/t17-,18-,19-,21-/m0/s1
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n/an/a 5.50E+3n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13370
PNG
((2S)-2-[(2R)-3-(4-hydroxy-2,5-dimethylphenyl)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1cc(C)c(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC=O)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H38N4O7S2/c1-13(2)21(29-23(33)19(11-37)26-12-30)24(34)28-18(10-16-8-15(4)20(31)9-14(16)3)22(32)27-17(25(35)36)6-7-38-5/h8-9,12-13,17-19,21,31,37H,6-7,10-11H2,1-5H3,(H,26,30)(H,27,32)(H,28,34)(H,29,33)(H,35,36)/t17-,18+,19-,21-/m0/s1
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n/an/a 1.02E+4n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13367
PNG
((2S)-2-[(2S)-3-(4-hydroxy-2,3-dimethylphenyl)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC=O)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H38N4O7S2/c1-13(2)21(29-23(33)19(11-37)26-12-30)24(34)28-18(10-16-6-7-20(31)15(4)14(16)3)22(32)27-17(25(35)36)8-9-38-5/h6-7,12-13,17-19,21,31,37H,8-11H2,1-5H3,(H,26,30)(H,27,32)(H,28,34)(H,29,33)(H,35,36)/t17-,18-,19-,21-/m0/s1
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n/an/a 1.03E+4n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13364
PNG
((2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1cc(C)c(O)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H38N4O6S2/c1-12(2)20(28-21(30)16(25)11-35)23(32)27-18(10-15-8-14(4)19(29)9-13(15)3)22(31)26-17(24(33)34)6-7-36-5/h8-9,12,16-18,20,29,35H,6-7,10-11,25H2,1-5H3,(H,26,31)(H,27,32)(H,28,30)(H,33,34)/t16-,17-,18+,20-/m0/s1
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n/an/a 1.05E+4n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13366
PNG
((2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H36N4O6S2/c1-12(2)19(27-20(29)16(24)11-34)22(31)26-18(10-14-5-6-15(28)9-13(14)3)21(30)25-17(23(32)33)7-8-35-4/h5-6,9,12,16-19,28,34H,7-8,10-11,24H2,1-4H3,(H,25,30)(H,26,31)(H,27,29)(H,32,33)/t16-,17-,18+,19-/m0/s1
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n/an/a 1.14E+4n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13371
PNG
(CAAX Analogue 14 | Compound XIV | methyl (2S)-2-[(...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C |r|
Show InChI InChI=1S/C25H40N4O6S2/c1-13(2)21(29-22(31)17(26)12-36)24(33)28-19(11-16-7-8-20(30)15(4)14(16)3)23(32)27-18(9-10-37-6)25(34)35-5/h7-8,13,17-19,21,30,36H,9-12,26H2,1-6H3,(H,27,32)(H,28,33)(H,29,31)/t17-,18-,19-,21-/m0/s1
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n/an/a 2.04E+4n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13372
PNG
(CAAX Analogue 15 | Compound XV | methyl (2S)-2-[(2...)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C |r|
Show InChI InChI=1S/C25H40N4O6S2/c1-13(2)21(29-22(31)17(26)12-36)24(33)28-19(11-16-7-8-20(30)15(4)14(16)3)23(32)27-18(9-10-37-6)25(34)35-5/h7-8,13,17-19,21,30,36H,9-12,26H2,1-6H3,(H,27,32)(H,28,33)(H,29,31)/t17-,18-,19+,21-/m0/s1
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n/an/a 7.05E+4n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Bos taurus (bovine))
BDBM13368
PNG
((2S)-2-[(2R)-3-(4-hydroxy-2,3-dimethylphenyl)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC=O)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H38N4O7S2/c1-13(2)21(29-23(33)19(11-37)26-12-30)24(34)28-18(10-16-6-7-20(31)15(4)14(16)3)22(32)27-17(25(35)36)8-9-38-5/h6-7,12-13,17-19,21,31,37H,8-11H2,1-5H3,(H,26,30)(H,27,32)(H,28,34)(H,29,33)(H,35,36)/t17-,18+,19-,21-/m0/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.537



Universita di Napoli Federico II



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 1882-90 (2006)


Article DOI: 10.1021/jm0506165
BindingDB Entry DOI: 10.7270/Q22V2DCH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%