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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'casara' and Initial = 'pj'   
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)


(Homo sapiens (Human))
BDBM50452012
PNG
(CHEMBL2110187)
Show SMILES Clc1cccc(c1)N1Cc2ccccc2C[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O |r|
Show InChI InChI=1S/C28H24ClN5O/c29-24-6-3-7-25(13-24)34-18-23-5-2-1-4-22(23)12-27(28(34)35)32-16-26-15-31-19-33(26)17-21-10-8-20(14-30)9-11-21/h1-11,13,15,19,27,32H,12,16-18H2/t27-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50092365
PNG
((R)-1-((1H-imidazol-5-yl)methyl)-3-benzyl-4-(thiop...)
Show SMILES O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1cccs1
Show InChI InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139576
PNG
(4-(5-{[2-(2-Methyl-benzyl)-3-oxo-2,3,4,5-tetrahydr...)
Show SMILES Cc1ccccc1CN1Cc2ccccc2CC(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C30H29N5O/c1-22-6-2-3-8-26(22)19-34-20-27-9-5-4-7-25(27)14-29(30(34)36)33-17-28-16-32-21-35(28)18-24-12-10-23(15-31)11-13-24/h2-13,16,21,29,33H,14,17-20H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139567
PNG
(4-(5-{[2-(3-Chloro-phenyl)-3-oxo-2,3,4,5-tetrahydr...)
Show SMILES Clc1cccc(c1)N1Cc2ccccc2CC(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C28H24ClN5O/c29-24-6-3-7-25(13-24)34-18-23-5-2-1-4-22(23)12-27(28(34)35)32-16-26-15-31-19-33(26)17-21-10-8-20(14-30)9-11-21/h1-11,13,15,19,27,32H,12,16-18H2
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n/an/a 4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139588
PNG
(4-(5-{[2-(3-Methoxy-phenyl)-3-oxo-2,3,4,5-tetrahyd...)
Show SMILES COc1cccc(c1)N1Cc2ccccc2CC(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C29H27N5O2/c1-36-27-8-4-7-25(14-27)34-19-24-6-3-2-5-23(24)13-28(29(34)35)32-17-26-16-31-20-33(26)18-22-11-9-21(15-30)10-12-22/h2-12,14,16,20,28,32H,13,17-19H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139580
PNG
(4-(5-{[2-(3-Chloro-benzyl)-3-oxo-2,3,4,5-tetrahydr...)
Show SMILES Clc1cccc(CN2Cc3ccccc3CC(NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H26ClN5O/c30-26-7-3-4-23(12-26)18-34-19-25-6-2-1-5-24(25)13-28(29(34)36)33-16-27-15-32-20-35(27)17-22-10-8-21(14-31)9-11-22/h1-12,15,20,28,33H,13,16-19H2
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n/an/a 6n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139570
PNG
(4-(5-{[2-(3,5-Difluoro-benzyl)-3-oxo-2,3,4,5-tetra...)
Show SMILES Fc1cc(F)cc(CN2Cc3ccccc3CC(NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H25F2N5O/c30-25-9-22(10-26(31)12-25)17-35-18-24-4-2-1-3-23(24)11-28(29(35)37)34-15-27-14-33-19-36(27)16-21-7-5-20(13-32)6-8-21/h1-10,12,14,19,28,34H,11,15-18H2
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n/an/a 8n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139568
PNG
(4-{5-[((S)-1-Benzyl-2-oxo-azepan-3-ylamino)-methyl...)
Show SMILES O=C1[C@H](CCCCN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H27N5O/c26-14-20-9-11-22(12-10-20)18-30-19-27-15-23(30)16-28-24-8-4-5-13-29(25(24)31)17-21-6-2-1-3-7-21/h1-3,6-7,9-12,15,19,24,28H,4-5,8,13,16-18H2/t24-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139591
PNG
(4-(5-{[2-(3-Fluoro-phenyl)-3-oxo-2,3,4,5-tetrahydr...)
Show SMILES Fc1cccc(c1)N1Cc2ccccc2CC(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C28H24FN5O/c29-24-6-3-7-25(13-24)34-18-23-5-2-1-4-22(23)12-27(28(34)35)32-16-26-15-31-19-33(26)17-21-10-8-20(14-30)9-11-21/h1-11,13,15,19,27,32H,12,16-18H2
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n/an/a 9n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139592
PNG
(4-(5-{[2-(2-Chloro-benzyl)-3-oxo-2,3,4,5-tetrahydr...)
Show SMILES Clc1ccccc1CN1Cc2ccccc2CC(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C29H26ClN5O/c30-27-8-4-3-7-25(27)19-34-18-24-6-2-1-5-23(24)13-28(29(34)36)33-16-26-15-32-20-35(26)17-22-11-9-21(14-31)10-12-22/h1-12,15,20,28,33H,13,16-19H2
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n/an/a 10n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139585
PNG
(4-(5-{[2-(3,5-Difluoro-phenyl)-3-oxo-2,3,4,5-tetra...)
Show SMILES Fc1cc(F)cc(c1)N1Cc2ccccc2CC(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C28H23F2N5O/c29-23-10-24(30)12-25(11-23)35-17-22-4-2-1-3-21(22)9-27(28(35)36)33-15-26-14-32-18-34(26)16-20-7-5-19(13-31)6-8-20/h1-8,10-12,14,18,27,33H,9,15-17H2
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n/an/a 10n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139579
PNG
(4-(5-{[2-(3-Nitro-phenyl)-3-oxo-2,3,4,5-tetrahydro...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1Cc2ccccc2CC(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C28H24N6O3/c29-14-20-8-10-21(11-9-20)17-32-19-30-15-26(32)16-31-27-12-22-4-1-2-5-23(22)18-33(28(27)35)24-6-3-7-25(13-24)34(36)37/h1-11,13,15,19,27,31H,12,16-18H2
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n/an/a 13n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139582
PNG
(4-(5-{[2-(3,5-Dichloro-phenyl)-3-oxo-2,3,4,5-tetra...)
Show SMILES Clc1cc(Cl)cc(c1)N1Cc2ccccc2CC(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C28H23Cl2N5O/c29-23-10-24(30)12-25(11-23)35-17-22-4-2-1-3-21(22)9-27(28(35)36)33-15-26-14-32-18-34(26)16-20-7-5-19(13-31)6-8-20/h1-8,10-12,14,18,27,33H,9,15-17H2
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n/an/a 15n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139583
PNG
(4-(5-{[2-(3-Bromo-phenyl)-3-oxo-2,3,4,5-tetrahydro...)
Show SMILES Brc1cccc(c1)N1Cc2ccccc2CC(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C28H24BrN5O/c29-24-6-3-7-25(13-24)34-18-23-5-2-1-4-22(23)12-27(28(34)35)32-16-26-15-31-19-33(26)17-21-10-8-20(14-30)9-11-21/h1-11,13,15,19,27,32H,12,16-18H2
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n/an/a 15n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139575
PNG
(4-{5-[(2-Benzyl-3-oxo-2,3,4,5-tetrahydro-1H-benzo[...)
Show SMILES O=C1C(Cc2ccccc2CN1Cc1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C29H27N5O/c30-15-22-10-12-24(13-11-22)19-34-21-31-16-27(34)17-32-28-14-25-8-4-5-9-26(25)20-33(29(28)35)18-23-6-2-1-3-7-23/h1-13,16,21,28,32H,14,17-20H2
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n/an/a 17n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139590
PNG
(4-(5-{[3-Oxo-2-(2,3,5-trifluoro-benzyl)-2,3,4,5-te...)
Show SMILES Fc1cc(F)c(F)c(CN2Cc3ccccc3CC(NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H24F3N5O/c30-24-9-23(28(32)26(31)11-24)17-36-16-22-4-2-1-3-21(22)10-27(29(36)38)35-14-25-13-34-18-37(25)15-20-7-5-19(12-33)6-8-20/h1-9,11,13,18,27,35H,10,14-17H2
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n/an/a 18n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139573
PNG
(4-(5-{[3-(3-Chloro-phenyl)-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES Clc1cccc(c1)N1CCc2ccccc2C(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C28H24ClN5O/c29-23-5-3-6-24(14-23)34-13-12-22-4-1-2-7-26(22)27(28(34)35)32-17-25-16-31-19-33(25)18-21-10-8-20(15-30)9-11-21/h1-11,14,16,19,27,32H,12-13,17-18H2
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n/an/a 19n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50452011
PNG
(CHEMBL2110188)
Show SMILES O=C1[C@H](Cc2ccccc2CN1c1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H25N5O/c29-15-21-10-12-22(13-11-21)18-32-20-30-16-26(32)17-31-27-14-23-6-4-5-7-24(23)19-33(28(27)34)25-8-2-1-3-9-25/h1-13,16,20,27,31H,14,17-19H2/t27-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139569
PNG
(4-(5-{[3-(3-Bromo-benzyl)-2-oxo-2,3,4,5-tetrahydro...)
Show SMILES Brc1cccc(CN2CCc3ccccc3C(NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H26BrN5O/c30-25-6-3-4-23(14-25)19-34-13-12-24-5-1-2-7-27(24)28(29(34)36)33-17-26-16-32-20-35(26)18-22-10-8-21(15-31)9-11-22/h1-11,14,16,20,28,33H,12-13,17-19H2
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n/an/a 22n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139577
PNG
(4-(5-{[3-(3-Chloro-benzyl)-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES Clc1cccc(CN2CCc3ccccc3C(NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H26ClN5O/c30-25-6-3-4-23(14-25)19-34-13-12-24-5-1-2-7-27(24)28(29(34)36)33-17-26-16-32-20-35(26)18-22-10-8-21(15-31)9-11-22/h1-11,14,16,20,28,33H,12-13,17-19H2
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n/an/a 23n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139578
PNG
(4-(5-{[3-(2-Chloro-benzyl)-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES Clc1ccccc1CN1CCc2ccccc2C(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C29H26ClN5O/c30-27-8-4-2-6-24(27)19-34-14-13-23-5-1-3-7-26(23)28(29(34)36)33-17-25-16-32-20-35(25)18-22-11-9-21(15-31)10-12-22/h1-12,16,20,28,33H,13-14,17-19H2
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n/an/a 23n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139574
PNG
(4-{5-[(3-Oxo-2-phenyl-2,3,4,5-tetrahydro-1H-benzo[...)
Show SMILES O=C1C(Cc2ccccc2CN1c1ccccc1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C28H25N5O/c29-15-21-10-12-22(13-11-21)18-32-20-30-16-26(32)17-31-27-14-23-6-4-5-7-24(23)19-33(28(27)34)25-8-2-1-3-9-25/h1-13,16,20,27,31H,14,17-19H2
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n/an/a 26n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139586
PNG
(4-(5-{[3-(3,5-Difluoro-benzyl)-2-oxo-2,3,4,5-tetra...)
Show SMILES Fc1cc(F)cc(CN2CCc3ccccc3C(NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H25F2N5O/c30-24-11-22(12-25(31)13-24)18-35-10-9-23-3-1-2-4-27(23)28(29(35)37)34-16-26-15-33-19-36(26)17-21-7-5-20(14-32)6-8-21/h1-8,11-13,15,19,28,34H,9-10,16-18H2
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n/an/a 26n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139571
PNG
(4-(5-{[3-(3,5-Dichloro-phenyl)-2-oxo-2,3,4,5-tetra...)
Show SMILES Clc1cc(Cl)cc(c1)N1CCc2ccccc2C(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C28H23Cl2N5O/c29-22-11-23(30)13-24(12-22)35-10-9-21-3-1-2-4-26(21)27(28(35)36)33-16-25-15-32-18-34(25)17-20-7-5-19(14-31)6-8-20/h1-8,11-13,15,18,27,33H,9-10,16-17H2
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n/an/a 32n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139572
PNG
(4-{5-[(2-Cyclohexylmethyl-3-oxo-2,3,4,5-tetrahydro...)
Show SMILES O=C1C(Cc2ccccc2CN1CC1CCCCC1)NCc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C29H33N5O/c30-15-22-10-12-24(13-11-22)19-34-21-31-16-27(34)17-32-28-14-25-8-4-5-9-26(25)20-33(29(28)35)18-23-6-2-1-3-7-23/h4-5,8-13,16,21,23,28,32H,1-3,6-7,14,17-20H2
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n/an/a 47n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139587
PNG
(4-{5-[(2-Oxo-3-phenyl-2,3,4,5-tetrahydro-1H-benzo[...)
Show SMILES O=C1C(NCc2cncn2Cc2ccc(cc2)C#N)c2ccccc2CCN1c1ccccc1
Show InChI InChI=1S/C28H25N5O/c29-16-21-10-12-22(13-11-21)19-32-20-30-17-25(32)18-31-27-26-9-5-4-6-23(26)14-15-33(28(27)34)24-7-2-1-3-8-24/h1-13,17,20,27,31H,14-15,18-19H2
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n/an/a 54n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139566
PNG
(4-(5-{[3-(2-Methyl-benzyl)-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES Cc1ccccc1CN1CCc2ccccc2C(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C30H29N5O/c1-22-6-2-3-8-26(22)20-34-15-14-25-7-4-5-9-28(25)29(30(34)36)33-18-27-17-32-21-35(27)19-24-12-10-23(16-31)11-13-24/h2-13,17,21,29,33H,14-15,18-20H2,1H3
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n/an/a 54n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139584
PNG
(4-(5-{[2-(2,4-Difluoro-benzyl)-3-oxo-2,3,4,5-tetra...)
Show SMILES Fc1ccc(CN2Cc3ccccc3CC(NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c(F)c1
Show InChI InChI=1S/C29H25F2N5O/c30-25-10-9-24(27(31)12-25)18-35-17-23-4-2-1-3-22(23)11-28(29(35)37)34-15-26-14-33-19-36(26)16-21-7-5-20(13-32)6-8-21/h1-10,12,14,19,28,34H,11,15-18H2
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n/an/a 55n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139589
PNG
(4-(5-{[3-(3,5-Difluoro-phenyl)-2-oxo-2,3,4,5-tetra...)
Show SMILES Fc1cc(F)cc(c1)N1CCc2ccccc2C(NCc2cncn2Cc2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C28H23F2N5O/c29-22-11-23(30)13-24(12-22)35-10-9-21-3-1-2-4-26(21)27(28(35)36)33-16-25-15-32-18-34(25)17-20-7-5-19(14-31)6-8-20/h1-8,11-13,15,18,27,33H,9-10,16-17H2
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n/an/a 62n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139565
PNG
(4-(5-{[3-(3-Fluoro-benzyl)-2-oxo-2,3,4,5-tetrahydr...)
Show SMILES Fc1cccc(CN2CCc3ccccc3C(NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1
Show InChI InChI=1S/C29H26FN5O/c30-25-6-3-4-23(14-25)19-34-13-12-24-5-1-2-7-27(24)28(29(34)36)33-17-26-16-32-20-35(26)18-22-10-8-21(15-31)9-11-22/h1-11,14,16,20,28,33H,12-13,17-19H2
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n/an/a 78n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50139581
PNG
(4-(5-{[2-(2,4-Dichloro-benzyl)-3-oxo-2,3,4,5-tetra...)
Show SMILES Clc1ccc(CN2Cc3ccccc3CC(NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c(Cl)c1
Show InChI InChI=1S/C29H25Cl2N5O/c30-25-10-9-24(27(31)12-25)18-35-17-23-4-2-1-3-22(23)11-28(29(35)37)34-15-26-14-33-19-36(26)16-21-7-5-20(13-32)6-8-21/h1-10,12,14,19,28,34H,11,15-18H2
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n/an/a 142n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair