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Compile Data Set for Download or QSAR

Found 3371 hits Enz. Inhib. hit(s) with Target = 'Protein Farnesyltransferase (PFT)'   
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 (PFT) Chain B


(Homo sapiens (Human))
BDBM50143597
PNG
((S)-2-(2-[2-(4-Fluoro-phenyl)-ethyl]-5-{[(1S,4S)-4...)
Show SMILES CSCC[C@H](NC(=O)c1cc(NC[C@@H]2C[C@@H](CN2)SC(=O)c2cccnc2)ccc1CCc1ccc(F)cc1)C(=O)OC(C)C
Show InChI InChI=1S/C34H41FN4O4S2/c1-22(2)43-33(41)31(14-16-44-3)39-32(40)30-18-27(13-10-24(30)9-6-23-7-11-26(35)12-8-23)37-20-28-17-29(21-38-28)45-34(42)25-5-4-15-36-19-25/h4-5,7-8,10-13,15,18-19,22,28-29,31,37-38H,6,9,14,16-17,20-21H2,1-3H3,(H,39,40)/t28-,29-,31-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition binding constant against Farnesyltransferase


J Med Chem 47: 1869-78 (2004)


Article DOI: 10.1021/jm0305467
BindingDB Entry DOI: 10.7270/Q2RX9CVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50287709
PNG
((E)-3-Carboxy-2-(16-sulfooxy-hexadecyl)-pent-2-ene...)
Show SMILES OC(=O)C\C(C(O)=O)=C(\CCCCCCCCCCCCCCCCOS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C22H38O10S/c23-20(24)17-19(22(27)28)18(21(25)26)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-32-33(29,30)31/h1-17H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30,31)/b19-18+
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Protein farnesyltransferase with respect to FPP


Bioorg Med Chem Lett 6: 2081-2084 (1996)


Article DOI: 10.1016/0960-894X(96)00372-1
BindingDB Entry DOI: 10.7270/Q2222TQ1
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50492066
PNG
(CHEMBL2396761)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CCCCCNC(=O)c1cc(OCCC(CN)CN)c(OCCC(CN)CN)c(OCCC(CN)CN)c1)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C47H87N11O10S2/c1-6-30(4)41(46(63)56-35(47(64)65)14-19-70-5)58-45(62)40(29(2)3)57-44(61)36(28-69)55-39(59)10-8-7-9-15-54-43(60)34-20-37(66-16-11-31(22-48)23-49)42(68-18-13-33(26-52)27-53)38(21-34)67-17-12-32(24-50)25-51/h20-21,29-33,35-36,40-41,69H,6-19,22-28,48-53H2,1-5H3,(H,54,60)(H,55,59)(H,56,63)(H,57,61)(H,58,62)(H,64,65)/t30-,35-,36-,40-,41-/m0/s1
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5n/an/an/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of FTase (unknown origin)-mediated K-Ras4B model peptide KKKKKKSK(Dans)TKCVIM farnesylation by microplate reader analysis


Bioorg Med Chem 21: 4004-10 (2013)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059860
PNG
(((2E,6E)-1-Hydroxy-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC(=O)P(O)(O)=O
Show InChI InChI=1/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,14H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)/b13-9+
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5.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyl pyrophosphate


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50492066
PNG
(CHEMBL2396761)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CCCCCNC(=O)c1cc(OCCC(CN)CN)c(OCCC(CN)CN)c(OCCC(CN)CN)c1)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C47H87N11O10S2/c1-6-30(4)41(46(63)56-35(47(64)65)14-19-70-5)58-45(62)40(29(2)3)57-44(61)36(28-69)55-39(59)10-8-7-9-15-54-43(60)34-20-37(66-16-11-31(22-48)23-49)42(68-18-13-33(26-52)27-53)38(21-34)67-17-12-32(24-50)25-51/h20-21,29-33,35-36,40-41,69H,6-19,22-28,48-53H2,1-5H3,(H,54,60)(H,55,59)(H,56,63)(H,57,61)(H,58,62)(H,64,65)/t30-,35-,36-,40-,41-/m0/s1
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15n/an/an/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of recombinant FTase (unknown origin)-mediated K-Ras4B model peptide KKKKKKSK(Dans)TKCVIM farnesylation by fluorescence plate reader analy...


Bioorg Med Chem 21: 4004-10 (2013)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50088001
PNG
((+/-)-11-[2-(2-methoxyphenyl)acryloyl]-1-phenyl-(1...)
Show SMILES COc1ccccc1C(=C)C(=O)N1C[C@@H]2[C@](C1)([C@@H]1CC[C@@]2(c2ccccc2)c2ccccc12)C(O)=O
Show InChI InChI=1S/C31H29NO4/c1-20(22-12-7-9-15-26(22)36-2)28(33)32-18-27-30(21-10-4-3-5-11-21)17-16-25(31(27,19-32)29(34)35)23-13-6-8-14-24(23)30/h3-15,25,27H,1,16-19H2,2H3,(H,34,35)/t25-,27+,30-,31+/m1/s1
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25n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase by Ras/SPA assay


J Med Chem 43: 1807-16 (2000)


Article DOI: 10.1021/jm991166h
BindingDB Entry DOI: 10.7270/Q23N22MR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50088009
PNG
((+/-)-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-(1R,...)
Show SMILES COc1ccccc1CC(=O)N1C[C@@H]2[C@](C1)([C@@H]1CC[C@@]2(c2ccccc2)c2ccccc12)C(O)=O
Show InChI InChI=1S/C30H29NO4/c1-35-25-14-8-5-9-20(25)17-27(32)31-18-26-29(21-10-3-2-4-11-21)16-15-24(30(26,19-31)28(33)34)22-12-6-7-13-23(22)29/h2-14,24,26H,15-19H2,1H3,(H,33,34)/t24-,26+,29-,30+/m1/s1
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140n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase by Ras/SPA assay


J Med Chem 43: 1807-16 (2000)


Article DOI: 10.1021/jm991166h
BindingDB Entry DOI: 10.7270/Q23N22MR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50289150
PNG
(Acetic acid (7E,11E)-(1S,2R,4R,14S,15R)-4,8,12-tri...)
Show SMILES CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
Show InChI InChI=1S/C22H30O5/c1-13-8-6-9-14(2)12-17(25-16(4)23)18-15(3)21(24)26-19(18)20-22(5,27-20)11-7-10-13/h9-10,17-20H,3,6-8,11-12H2,1-2,4-5H3/b13-10+,14-9+/t17-,18+,19-,20+,22+/m0/s1
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic parameter for inihibiton of farnesyl protein transferase


Bioorg Med Chem Lett 6: 909-912 (1996)


Article DOI: 10.1016/0960-894X(96)00142-4
BindingDB Entry DOI: 10.7270/Q2VT1S3W
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50481616
PNG
(CHEMBL590127)
Show SMILES CCOC(=O)C(CCCc1ncc(CN[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(O)=O)n1C)(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O
Show InChI InChI=1S/C47H71N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,17,19,21-22,24,30,33,38-39,41,49H,10,14-16,18,20,23,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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230n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to FPP site of human recombinant FTase by competitive Michaelis-Menten analysis


Bioorg Med Chem 18: 543-56 (2010)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50088004
PNG
(8-hydroxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-...)
Show SMILES COc1ccccc1CC(=O)N1C[C@@H]2[C@@](C1)(C(O)=O)[C@]1(O)CC[C@@]2(c2ccccc2)c2ccccc12
Show InChI InChI=1S/C30H29NO5/c1-36-24-14-8-5-9-20(24)17-26(32)31-18-25-28(21-10-3-2-4-11-21)15-16-30(35,29(25,19-31)27(33)34)23-13-7-6-12-22(23)28/h2-14,25,35H,15-19H2,1H3,(H,33,34)/t25-,28+,29-,30-/m0/s1
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250n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase by Ras/SPA assay


J Med Chem 43: 1807-16 (2000)


Article DOI: 10.1021/jm991166h
BindingDB Entry DOI: 10.7270/Q23N22MR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50481625
PNG
(CHEMBL599795)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC(C(O)=O)C(O)=O
Show InChI InChI=1S/C18H28O4/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17(19)20)18(21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H,19,20)(H,21,22)/b14-9+,15-11+
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260n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to FPP site of human recombinant FTase by competitive Michaelis-Menten analysis


Bioorg Med Chem 18: 543-56 (2010)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50088014
PNG
(1-(2,3-dihydrobenzo[b]furan-5-yl)-11-[2-(2-methoxy...)
Show SMILES COc1ccccc1C(=C)C(=O)N1C[C@@H]2[C@](C1)([C@@H]1CC[C@@]2(c2ccc3OCCc3c2)c2ccccc12)C(O)=O
Show InChI InChI=1S/C33H31NO5/c1-20(23-7-4-6-10-28(23)38-2)30(35)34-18-29-32(22-11-12-27-21(17-22)14-16-39-27)15-13-26(33(29,19-34)31(36)37)24-8-3-5-9-25(24)32/h3-12,17,26,29H,1,13-16,18-19H2,2H3,(H,36,37)/t26-,29+,32-,33+/m1/s1
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420n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase by Ras/SPA assay


J Med Chem 43: 1807-16 (2000)


Article DOI: 10.1021/jm991166h
BindingDB Entry DOI: 10.7270/Q23N22MR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50088008
PNG
(11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-(1R,8R,9S,...)
Show SMILES CONC(=O)[C@]12CN(C[C@H]1[C@]1(CC[C@@H]2c2ccccc12)c1ccccc1)C(=O)Cc1ccccc1OC
Show InChI InChI=1S/C31H32N2O4/c1-36-26-15-9-6-10-21(26)18-28(34)33-19-27-30(22-11-4-3-5-12-22)17-16-25(23-13-7-8-14-24(23)30)31(27,20-33)29(35)32-37-2/h3-15,25,27H,16-20H2,1-2H3,(H,32,35)/t25-,27+,30-,31+/m1/s1
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420n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase by Ras/SPA assay


J Med Chem 43: 1807-16 (2000)


Article DOI: 10.1021/jm991166h
BindingDB Entry DOI: 10.7270/Q23N22MR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50481615
PNG
(CHEMBL590126)
Show SMILES CCOC(=O)C(C\C=C\c1ncc(CN[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(O)=O)n1C)(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O
Show InChI InChI=1S/C47H69N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,16-17,19,21-24,30,33,38-39,41,49H,10,14-15,18,20,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b23-16+,34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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500n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to FPP site of human recombinant FTase by competitive Michaelis-Menten analysis


Bioorg Med Chem 18: 543-56 (2010)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50088013
PNG
(2-[11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-(1R,8R,...)
Show SMILES COc1ccccc1CC(=O)N1C[C@@H]2[C@](C1)([C@@H]1CC[C@@]2(c2ccccc2)c2ccccc12)C(=O)NCC(O)=O
Show InChI InChI=1S/C32H32N2O5/c1-39-26-14-8-5-9-21(26)17-28(35)34-19-27-31(22-10-3-2-4-11-22)16-15-25(23-12-6-7-13-24(23)31)32(27,20-34)30(38)33-18-29(36)37/h2-14,25,27H,15-20H2,1H3,(H,33,38)(H,36,37)/t25-,27+,31-,32+/m1/s1
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738n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase by Ras/SPA assay


J Med Chem 43: 1807-16 (2000)


Article DOI: 10.1021/jm991166h
BindingDB Entry DOI: 10.7270/Q23N22MR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108070
PNG
(2-[4-(2-Amino-3-mercapto-propylamino)-benzoylamino...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1)C(O)=O
Show InChI InChI=1S/C15H23N3O3S2/c1-23-7-6-13(15(20)21)18-14(19)10-2-4-12(5-3-10)17-8-11(16)9-22/h2-5,11,13,17,22H,6-9,16H2,1H3,(H,18,19)(H,20,21)/t11-,13+/m1/s1
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785n/an/an/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of recombinant FTase (unknown origin)-mediated K-Ras4B model peptide KKKKKKSK(Dans)TKCVIM farnesylation by fluorescence plate reader analy...


Bioorg Med Chem 21: 4004-10 (2013)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059865
PNG
(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC=CP(O)(=O)CP(O)(O)=O
Show InChI InChI=1/C17H32O5P2/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-23(18,19)14-24(20,21)22/h7-8,10,13,17H,5-6,9,11-12,14H2,1-4H3,(H,18,19)(H2,20,21,22)/b13-7+,16-10+
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830n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyl pyrophosphate


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50492065
PNG
(CHEMBL2396762)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@H](CS)NC(=O)CCCCCNC(=O)c2cc(OCCC(CN)CN)c(OCCC(CN)CN)c(OCCC(CN)CN)c2)cc1)C(O)=O
Show InChI InChI=1S/C43H74N10O8S2/c1-63-18-13-36(43(57)58)53-42(56)32-6-8-34(9-7-32)51-27-35(28-62)52-39(54)5-3-2-4-14-50-41(55)33-19-37(59-15-10-29(21-44)22-45)40(61-17-12-31(25-48)26-49)38(20-33)60-16-11-30(23-46)24-47/h6-9,19-20,29-31,35-36,51,62H,2-5,10-18,21-28,44-49H2,1H3,(H,50,55)(H,52,54)(H,53,56)(H,57,58)/t35-,36+/m1/s1
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837n/an/an/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of recombinant FTase (unknown origin)-mediated K-Ras4B model peptide KKKKKKSK(Dans)TKCVIM farnesylation by fluorescence plate reader analy...


Bioorg Med Chem 21: 4004-10 (2013)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108076
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propio...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C19H36N4O5S2/c1-6-11(4)15(18(26)21-13(19(27)28)7-8-30-5)23-17(25)14(10(2)3)22-16(24)12(20)9-29/h10-15,29H,6-9,20H2,1-5H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)/t11-,12-,13-,14-,15-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of FTase (unknown origin)-mediated K-Ras4B model peptide KKKKKKSK(Dans)TKCVIM farnesylation by microplate reader analysis


Bioorg Med Chem 21: 4004-10 (2013)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50481616
PNG
(CHEMBL590127)
Show SMILES CCOC(=O)C(CCCc1ncc(CN[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(O)=O)n1C)(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O
Show InChI InChI=1S/C47H71N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,17,19,21-22,24,30,33,38-39,41,49H,10,14-16,18,20,23,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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5.60E+3n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-substrate-inhibitor complex


Bioorg Med Chem 18: 543-56 (2010)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50481616
PNG
(CHEMBL590127)
Show SMILES CCOC(=O)C(CCCc1ncc(CN[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(O)=O)n1C)(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O
Show InChI InChI=1S/C47H71N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,17,19,21-22,24,30,33,38-39,41,49H,10,14-16,18,20,23,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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7.70E+3n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-inhibitor complex


Bioorg Med Chem 18: 543-56 (2010)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50481615
PNG
(CHEMBL590126)
Show SMILES CCOC(=O)C(C\C=C\c1ncc(CN[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(O)=O)n1C)(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O
Show InChI InChI=1S/C47H69N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,16-17,19,21-24,30,33,38-39,41,49H,10,14-15,18,20,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b23-16+,34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-substrate-inhibitor complex


Bioorg Med Chem 18: 543-56 (2010)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50481615
PNG
(CHEMBL590126)
Show SMILES CCOC(=O)C(C\C=C\c1ncc(CN[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(O)=O)n1C)(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O
Show InChI InChI=1S/C47H69N5O8S/c1-10-60-46(59)47(45(57)58,27-24-35(7)20-15-19-34(6)18-14-17-32(2)3)26-16-23-40-48-30-37(52(40)8)31-49-41(33(4)5)43(54)51-39(29-36-21-12-11-13-22-36)42(53)50-38(44(55)56)25-28-61-9/h11-13,16-17,19,21-24,30,33,38-39,41,49H,10,14-15,18,20,25-29,31H2,1-9H3,(H,50,53)(H,51,54)(H,55,56)(H,57,58)/b23-16+,34-19+,35-24+/t38-,39-,41-,47?/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Centre de Recherche de Gif-sur-Yvette

Curated by ChEMBL


Assay Description
Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-inhibitor complex


Bioorg Med Chem 18: 543-56 (2010)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50088002
PNG
(1-(4-carboxymethoxyphenyl)-11-[2-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1C(=C)C(=O)N1C[C@@H]2[C@](C1)([C@@H]1CC[C@@]2(c2ccc(OCC(O)=O)cc2)c2ccccc12)C(O)=O
Show InChI InChI=1S/C33H31NO7/c1-20(23-7-4-6-10-27(23)40-2)30(37)34-17-28-32(21-11-13-22(14-12-21)41-18-29(35)36)16-15-26(33(28,19-34)31(38)39)24-8-3-5-9-25(24)32/h3-14,26,28H,1,15-19H2,2H3,(H,35,36)(H,38,39)/t26-,28+,32-,33+/m1/s1
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2.55E+4n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase by Ras/SPA assay


J Med Chem 43: 1807-16 (2000)


Article DOI: 10.1021/jm991166h
BindingDB Entry DOI: 10.7270/Q23N22MR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50088003
PNG
(11-[2-(2-benzyloxyphenyl)acetyl]-1-phenyl-(1R,8R,9...)
Show SMILES OC(=O)[C@]12CN(C[C@H]1[C@]1(CC[C@@H]2c2ccccc12)c1ccccc1)C(=O)Cc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C36H33NO4/c38-33(21-26-13-7-10-18-31(26)41-23-25-11-3-1-4-12-25)37-22-32-35(27-14-5-2-6-15-27)20-19-30(36(32,24-37)34(39)40)28-16-8-9-17-29(28)35/h1-18,30,32H,19-24H2,(H,39,40)/t30-,32+,35-,36+/m1/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase by Ras/SPA assay


J Med Chem 43: 1807-16 (2000)


Article DOI: 10.1021/jm991166h
BindingDB Entry DOI: 10.7270/Q23N22MR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50088005
PNG
(2-(2-methoxyphenyl)-1-[1-phenyl-(1R,8S,9R,13R)-11-...)
Show SMILES COc1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)[C@]1(CC[C@@H]2c2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H29NO2/c1-32-27-14-8-5-9-20(27)17-28(31)30-18-24-22-15-16-29(26(24)19-30,21-10-3-2-4-11-21)25-13-7-6-12-23(22)25/h2-14,22,24,26H,15-19H2,1H3/t22-,24-,26-,29-/m1/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase by Ras/SPA assay


J Med Chem 43: 1807-16 (2000)


Article DOI: 10.1021/jm991166h
BindingDB Entry DOI: 10.7270/Q23N22MR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50088006
PNG
(6-hydroxy-11-[2-(2-methoxyphenyl)acetyl]-1-phenyl-...)
Show SMILES COc1ccccc1CC(=O)N1C[C@@H]2[C@](C1)([C@@H]1CC[C@@]2(c2ccccc2)c2cccc(O)c12)C(O)=O
Show InChI InChI=1S/C30H29NO5/c1-36-24-13-6-5-8-19(24)16-26(33)31-17-25-29(20-9-3-2-4-10-20)15-14-22(30(25,18-31)28(34)35)27-21(29)11-7-12-23(27)32/h2-13,22,25,32H,14-18H2,1H3,(H,34,35)/t22-,25+,29-,30+/m1/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase by Ras/SPA assay


J Med Chem 43: 1807-16 (2000)


Article DOI: 10.1021/jm991166h
BindingDB Entry DOI: 10.7270/Q23N22MR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50153168
PNG
(6-({[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-am...)
Show SMILES CCOc1cccc(c1)-c1cc(ccc1CNCc1cncn1Cc1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H25N5O/c1-2-34-27-5-3-4-24(13-27)28-12-23(15-30)10-11-25(28)16-31-17-26-18-32-20-33(26)19-22-8-6-21(14-29)7-9-22/h3-13,18,20,31H,2,16-17,19H2,1H3
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n/an/a 0.0100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras CVIM by human Farnesyltransferase


Bioorg Med Chem Lett 14: 5057-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.083
BindingDB Entry DOI: 10.7270/Q2N0160C
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50153170
PNG
(6-({[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-me...)
Show SMILES CCOc1cccc(c1)-c1cc(ccc1CN(C)Cc1cncn1Cc1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C29H27N5O/c1-3-35-28-6-4-5-25(14-28)29-13-24(16-31)11-12-26(29)19-33(2)20-27-17-32-21-34(27)18-23-9-7-22(15-30)8-10-23/h4-14,17,21H,3,18-20H2,1-2H3
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n/an/a 0.0300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras CVIM by human Farnesyltransferase


Bioorg Med Chem Lett 14: 5057-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.083
BindingDB Entry DOI: 10.7270/Q2N0160C
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135360
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES CCCn1c(COC(c2cncn2C)c2ccc(cc2)C#N)c(cc(C#N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1/C28H24ClN5O2/c1-3-11-34-26(24(13-22(15-31)28(34)35)21-5-4-6-23(29)12-21)17-36-27(25-16-32-18-33(25)2)20-9-7-19(14-30)8-10-20/h4-10,12-13,16,18,27H,3,11,17H2,1-2H3
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n/an/a 0.0360n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.058
BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50143599
PNG
(2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]...)
Show SMILES CC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C28H33N5O2/c1-5-28(13-6-7-14-32(3)26(28)34)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,30)25-18-31-19-33(25)4/h8-12,15-16,18-19H,5-7,13-14,30H2,1-4H3/t27-,28-/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against farnesyltransferase was determined


J Med Chem 47: 1869-78 (2004)


Article DOI: 10.1021/jm0305467
BindingDB Entry DOI: 10.7270/Q2RX9CVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126028
PNG
(3',5'-Dichloro-6-[3-(4-cyano-phenyl)-3-hydroxy-3-(...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1-c1cc(Cl)cc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1/C27H16Cl2N4O/c1-33-17-32-16-26(33)27(34,22-6-3-18(14-30)4-7-22)9-8-20-5-2-19(15-31)10-25(20)21-11-23(28)13-24(29)12-21/h2-7,10-13,16-17,34H,1H3
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n/an/a 0.0790n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50181249
PNG
(5-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(nap...)
Show SMILES CSc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)C2(C)c2cccc3ccccc23)cc1C#N
Show InChI InChI=1/C29H27N5O2S/c1-29(25-10-5-8-22-7-3-4-9-24(22)25)27(35)33(15-6-14-32-16-13-31-20-32)28(36)34(29)19-21-11-12-26(37-2)23(17-21)18-30/h3-5,7-13,16-17,20H,6,14-15,19H2,1-2H3
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n/an/a 0.0800n/an/an/an/an/an/a



Keimyung University

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase


Bioorg Med Chem Lett 16: 1954-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.074
BindingDB Entry DOI: 10.7270/Q2280754
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50181245
PNG
(3-((3-(3-(1H-imidazol-1-yl)propyl)-5-methyl-5-(nap...)
Show SMILES CC1(N(Cc2cccc(c2)C#N)C(=O)N(CCCn2ccnc2)C1=O)c1cccc2ccccc12
Show InChI InChI=1/C28H25N5O2/c1-28(25-12-5-10-23-9-2-3-11-24(23)25)26(34)32(15-6-14-31-16-13-30-20-31)27(35)33(28)19-22-8-4-7-21(17-22)18-29/h2-5,7-13,16-17,20H,6,14-15,19H2,1H3
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n/an/a 0.0900n/an/an/an/an/an/a



Keimyung University

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase


Bioorg Med Chem Lett 16: 1954-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.074
BindingDB Entry DOI: 10.7270/Q2280754
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080742
PNG
((S)-2-[(5-{[Benzyl-(5-fluoro-pyridin-3-yl)-amino]-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cncc(F)c2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H32FN3O3S/c1-22-8-6-7-11-27(22)29-16-24(12-13-28(29)31(37)35-30(32(38)39)14-15-40-2)21-36(20-23-9-4-3-5-10-23)26-17-25(33)18-34-19-26/h3-13,16-19,30H,14-15,20-21H2,1-2H3,(H,35,37)(H,38,39)/t30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080764
PNG
((S)-2-({5-[(Benzyl-pyridin-3-yl-amino)-methyl]-2'-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H33N3O3S/c1-23-9-6-7-13-27(23)29-19-25(14-15-28(29)31(36)34-30(32(37)38)16-18-39-2)22-35(26-12-8-17-33-20-26)21-24-10-4-3-5-11-24/h3-15,17,19-20,30H,16,18,21-22H2,1-2H3,(H,34,36)(H,37,38)/t30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080765
PNG
((S)-2-({5-[(Cyclohexylmethyl-pyridin-3-yl-amino)-m...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(CC2CCCCC2)c2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H39N3O3S/c1-23-9-6-7-13-27(23)29-19-25(14-15-28(29)31(36)34-30(32(37)38)16-18-39-2)22-35(26-12-8-17-33-20-26)21-24-10-4-3-5-11-24/h6-9,12-15,17,19-20,24,30H,3-5,10-11,16,18,21-22H2,1-2H3,(H,34,36)(H,37,38)/t30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50495912
PNG
(CHEMBL3115255)
Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(N)=O)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H27ClN6O2/c1-25(34,21-14-28-15-30(21)2)20-12-16-4-3-7-29-22(16)23(18-6-5-17(26)13-19(18)20)31-8-10-32(11-9-31)24(27)33/h3-7,12-15,23,34H,8-11H2,1-2H3,(H2,27,33)/t23-,25-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-...


Bioorg Med Chem Lett 24: 1228-31 (2014)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139186
PNG
(4-allyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...)
Show SMILES C=CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1/C26H25N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h2,4-7,10-11,13,18H,1,3,8-9,14-17H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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Pharmacopeia

Curated by ChEMBL


Assay Description
Inhibitory activity against Farnesyltransferase quantified by modified SPA assay with improved sensitivity


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50153169
PNG
(3-Benzo[1,3]dioxol-5-yl-4-[3-(4-cyano-benzyl)-3H-i...)
Show SMILES N#Cc1ccc(Cn2cncc2COCc2ccc(cc2-c2ccc3OCOc3c2)C#N)cc1
Show InChI InChI=1S/C27H20N4O3/c28-11-19-1-3-20(4-2-19)14-31-17-30-13-24(31)16-32-15-23-6-5-21(12-29)9-25(23)22-7-8-26-27(10-22)34-18-33-26/h1-10,13,17H,14-16,18H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant Ras CVIM by human Farnesyltransferase


Bioorg Med Chem Lett 14: 5057-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.083
BindingDB Entry DOI: 10.7270/Q2N0160C
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50495899
PNG
(CHEMBL3115256)
Show SMILES Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)NC2CCCCC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C31H37ClN6O2/c1-31(40,27-19-33-20-36(27)2)26-17-21-7-6-12-34-28(21)29(24-11-10-22(32)18-25(24)26)37-13-15-38(16-14-37)30(39)35-23-8-4-3-5-9-23/h6-7,10-12,17-20,23,29,40H,3-5,8-9,13-16H2,1-2H3,(H,35,39)/t29-,31-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-...


Bioorg Med Chem Lett 24: 1228-31 (2014)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50081221
PNG
(4-{5-[(S)-2-Butyl-4-(3-chloro-phenyl)-5-oxo-pipera...)
Show SMILES CCCC[C@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1
Show InChI InChI=1S/C26H28ClN5O/c1-2-3-6-24-17-32(23-7-4-5-22(27)12-23)26(33)18-30(24)16-25-14-29-19-31(25)15-21-10-8-20(13-28)9-11-21/h4-5,7-12,14,19,24H,2-3,6,15-18H2,1H3/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase


J Med Chem 42: 3779-84 (1999)


Article DOI: 10.1021/jm990254z
BindingDB Entry DOI: 10.7270/Q2F47NB1
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075841
PNG
((S)-2-[(5-{2-[4-(Adamantane-1-carbonyl)-pyridin-3-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C37H40N2O4S/c1-23-5-3-4-6-29(23)32-18-24(8-10-31(32)35(41)39-33(36(42)43)12-14-44-2)7-9-28-22-38-13-11-30(28)34(40)37-19-25-15-26(20-37)17-27(16-25)21-37/h3-11,13,18,22,25-27,33H,12,14-17,19-21H2,1-2H3,(H,39,41)(H,42,43)/b9-7+/t25-,26+,27-,33-,37-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00080-3
BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50079961
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-naphthalen-2-ylmet...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C40H47N5O4S/c1-4-28(2)37(43-38(46)21-34-22-41-27-45(34)23-29-16-17-30-10-5-6-12-32(30)20-29)25-44(26-39(47)42-36(40(48)49)18-19-50-3)24-33-14-9-13-31-11-7-8-15-35(31)33/h5-17,20,22,27-28,36-37H,4,18-19,21,23-26H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t28?,36-,37+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50079974
PNG
((S)-2-[2-({(S)-3-Methyl-2-[2-(3-naphthalen-1-ylmet...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1cccc2ccccc12
Show InChI InChI=1S/C40H47N5O4S/c1-4-28(2)37(43-38(46)21-33-22-41-27-45(33)24-32-16-10-14-30-12-6-8-18-35(30)32)25-44(26-39(47)42-36(40(48)49)19-20-50-3)23-31-15-9-13-29-11-5-7-17-34(29)31/h5-18,22,27-28,36-37H,4,19-21,23-26H2,1-3H3,(H,42,47)(H,43,46)(H,48,49)/t28?,36-,37+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50130373
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CCCC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C30H37N5O2/c1-5-6-14-30(15-7-8-16-34(3)28(30)36)24-10-9-11-25(17-24)37-26-18-23(13-12-22(26)19-31)29(2,32)27-20-33-21-35(27)4/h9-13,17-18,20-21H,5-8,14-16,32H2,1-4H3/t29-,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50072639
PNG
((S)-2-(2-{[(S)-2-((R)-2-Amino-3-mercapto-propylami...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC[C@@H](N)CS
Show InChI InChI=1S/C27H42N4O3S2/c1-4-19(2)25(29-14-22(28)18-35)16-31(17-26(32)30-24(27(33)34)12-13-36-3)15-21-10-7-9-20-8-5-6-11-23(20)21/h5-11,19,22,24-25,29,35H,4,12-18,28H2,1-3H3,(H,30,32)(H,33,34)/t19?,22-,24+,25-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]- FPP incorporation into recombinant Ha-Ras by farnesyl transferase at 10 pM


Bioorg Med Chem Lett 8: 3311-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00586-1
BindingDB Entry DOI: 10.7270/Q2G44QSV
More data for this
Ligand-Target Pair
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