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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'fakhoury' and Initial = 'sa'   
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))
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=1S/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135354
PNG
(6-[(3-Chloro-4-cyano-phenyl)-(3-methyl-3H-imidazol...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C27H19ClF3N5O3/c1-35-15-34-13-23(35)25(17-3-4-18(11-32)22(28)10-17)38-14-24-21(9-19(12-33)26(37)36(24)2)16-5-7-20(8-6-16)39-27(29,30)31/h3-10,13,15,25H,14H2,1-2H3
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n/an/a 0.360n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135391
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES COc1cccc(c1)-c1cc(C#N)c(=O)n(C)c1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H23N5O3/c1-31-17-30-15-24(31)26(19-9-7-18(13-28)8-10-19)35-16-25-23(12-21(14-29)27(33)32(25)2)20-5-4-6-22(11-20)34-3/h4-12,15,17,26H,16H2,1-3H3
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n/an/a 0.410n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135361
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(OC(F)(F)F)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20F3N5O3/c1-34-16-33-14-23(34)25(18-8-6-17(12-31)7-9-18)37-15-24-22(11-20(13-32)26(36)35(24)2)19-4-3-5-21(10-19)38-27(28,29)30/h3-11,14,16,25H,15H2,1-2H3
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n/an/a 0.420n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135390
PNG
(6-[(3-Bromo-4-cyano-phenyl)-(3-methyl-3H-imidazol-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)cc(Cl)c1)c1ccc(C#N)c(Br)c1
Show InChI InChI=1S/C26H18BrCl2N5O2/c1-33-14-32-12-23(33)25(15-3-4-16(10-30)22(27)8-15)36-13-24-21(7-18(11-31)26(35)34(24)2)17-5-19(28)9-20(29)6-17/h3-9,12,14,25H,13H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135367
PNG
(5-Benzo[1,3]dioxol-5-yl-6-[(4-cyano-phenyl)-(3-met...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc2OCOc2c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H21N5O4/c1-31-15-30-13-22(31)26(18-5-3-17(11-28)4-6-18)34-14-23-21(9-20(12-29)27(33)32(23)2)19-7-8-24-25(10-19)36-16-35-24/h3-10,13,15,26H,14,16H2,1-2H3
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n/an/a 0.420n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135353
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20ClN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135383
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-22(9-19(12-30)26(34)33(24)2)18-7-20(27)10-21(28)8-18/h3-10,13,15,25H,14H2,1-2H3
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n/an/a 0.460n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135362
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-20(9-19(12-30)26(34)33(24)2)18-7-8-21(27)22(28)10-18/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135389
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1CC1CC1)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H24ClN5O2/c1-34-18-33-15-26(34)28(21-9-7-19(13-31)8-10-21)37-17-27-25(22-3-2-4-24(30)11-22)12-23(14-32)29(36)35(27)16-20-5-6-20/h2-4,7-12,15,18,20,28H,5-6,16-17H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135378
PNG
(5-(3-Bromo-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Br)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20BrN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135372
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES CCOc1cccc(c1)-c1cc(C#N)c(=O)n(C)c1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H25N5O3/c1-4-35-23-7-5-6-21(12-23)24-13-22(15-30)28(34)33(3)26(24)17-36-27(25-16-31-18-32(25)2)20-10-8-19(14-29)9-11-20/h5-13,16,18,27H,4,17H2,1-3H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135355
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc2OC(F)(F)Oc2c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H19F2N5O4/c1-33-15-32-13-21(33)25(17-5-3-16(11-30)4-6-17)36-14-22-20(9-19(12-31)26(35)34(22)2)18-7-8-23-24(10-18)38-27(28,29)37-23/h3-10,13,15,25H,14H2,1-2H3
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n/an/a 0.690n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135368
PNG
(5-(3-Chloro-5-fluoro-phenyl)-6-[(4-cyano-phenyl)-(...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(F)cc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19ClFN5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-22(9-19(12-30)26(34)33(24)2)18-7-20(27)10-21(28)8-18/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135377
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20F3N5O3/c1-34-16-33-14-23(34)25(19-5-3-17(12-31)4-6-19)37-15-24-22(11-20(13-32)26(36)35(24)2)18-7-9-21(10-8-18)38-27(28,29)30/h3-11,14,16,25H,15H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50127315
PNG
(6-[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3H...)
Show SMILES Cn1cncc1C(OCc1ccc(cn1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C29H21N5O/c1-34-19-32-17-28(34)29(35-18-24-12-9-20(14-30)16-33-24)22-10-11-23(15-31)27(13-22)26-8-4-6-21-5-2-3-7-25(21)26/h2-13,16-17,19,29H,18H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135364
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES CCn1c(COC(c2cncn2C)c2ccc(cc2)C#N)c(cc(C#N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H22ClN5O2/c1-3-33-25(23(12-21(14-30)27(33)34)20-5-4-6-22(28)11-20)16-35-26(24-15-31-17-32(24)2)19-9-7-18(13-29)8-10-19/h4-12,15,17,26H,3,16H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135386
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-3-iodo-phenyl)-(3-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C26H19ClIN5O2/c1-32-15-31-13-23(32)25(17-6-7-18(11-29)22(28)10-17)35-14-24-21(16-4-3-5-20(27)8-16)9-19(12-30)26(34)33(24)2/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135366
PNG
(6-[(3-Chloro-4-cyano-phenyl)-(3-methyl-3H-imidazol...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)cc(Cl)c1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C26H18Cl3N5O2/c1-33-14-32-12-23(33)25(15-3-4-16(10-30)22(29)8-15)36-13-24-21(7-18(11-31)26(35)34(24)2)17-5-19(27)9-20(28)6-17/h3-9,12,14,25H,13H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135392
PNG
(6-[(4-Cyano-3-iodo-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)cc(Cl)c1)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C26H18Cl2IN5O2/c1-33-14-32-12-23(33)25(15-3-4-16(10-30)22(29)8-15)36-13-24-21(7-18(11-31)26(35)34(24)2)17-5-19(27)9-20(28)6-17/h3-9,12,14,25H,13H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135394
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(F)cc(F)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19F2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-22(9-19(12-30)26(34)33(24)2)18-7-20(27)10-21(28)8-18/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135381
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1[nH]c(=O)c(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H18ClN5O2/c1-31-15-29-13-23(31)24(17-7-5-16(11-27)6-8-17)33-14-22-21(10-19(12-28)25(32)30-22)18-3-2-4-20(26)9-18/h2-10,13,15,24H,14H2,1H3,(H,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135382
PNG
(6-[(3-Bromo-4-cyano-phenyl)-(3-methyl-3H-imidazol-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(Br)c1
Show InChI InChI=1S/C27H19BrF3N5O3/c1-35-15-34-13-23(35)25(17-3-4-18(11-32)22(28)10-17)38-14-24-21(9-19(12-33)26(37)36(24)2)16-5-7-20(8-6-16)39-27(29,30)31/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135373
PNG
(6-[(3-Chloro-4-cyano-phenyl)-(3-methyl-3H-imidazol...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-6-7-18(11-29)22(28)10-17)35-14-24-21(16-4-3-5-20(27)8-16)9-19(12-30)26(34)33(24)2/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135370
PNG
(6-[(3'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(C#N)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C32H23Cl2N5O2/c1-38-19-37-17-29(38)31(22-9-10-23(15-35)27(13-22)20-5-3-7-25(33)11-20)41-18-30-28(21-6-4-8-26(34)12-21)14-24(16-36)32(40)39(30)2/h3-14,17,19,31H,18H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135369
PNG
(5-(3-Chloro-4-fluoro-phenyl)-6-[(4-cyano-phenyl)-(...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(F)c(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19ClFN5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-20(9-19(12-30)26(34)33(24)2)18-7-8-22(28)21(27)10-18/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
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 |r|
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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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135358
PNG
(6-[(3-Bromo-4-cyano-phenyl)-(3-methyl-3H-imidazol-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(C#N)c(Br)c1
Show InChI InChI=1S/C26H19BrClN5O2/c1-32-15-31-13-23(32)25(17-6-7-18(11-29)22(27)10-17)35-14-24-21(16-4-3-5-20(28)8-16)9-19(12-30)26(34)33(24)2/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135388
PNG
(6-[(3'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C33H23ClF3N5O3/c1-41-19-40-17-29(41)31(22-6-7-23(15-38)27(13-22)21-4-3-5-25(34)12-21)44-18-30-28(14-24(16-39)32(43)42(30)2)20-8-10-26(11-9-20)45-33(35,36)37/h3-14,17,19,31H,18H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135363
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(F)c(F)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19F2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-20(9-19(12-30)26(34)33(24)2)18-7-8-21(27)22(28)10-18/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135379
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)ccc1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-21(9-18(12-30)26(34)33(24)2)20-10-19(27)7-8-22(20)28/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135384
PNG
(5-(3-Chloro-2-fluoro-phenyl)-6-[(4-cyano-phenyl)-(...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19ClFN5O2/c1-32-15-31-13-22(32)25(17-8-6-16(11-29)7-9-17)35-14-23-20(10-18(12-30)26(34)33(23)2)19-4-3-5-21(27)24(19)28/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135357
PNG
(6-[(4-Cyano-phenyl)-thiazol-5-yl-methoxymethyl]-5-...)
Show SMILES Cn1c(COC(c2cncs2)c2ccc(cc2)C#N)c(cc(C#N)c1=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H16Cl2N4O2S/c1-31-22(21(8-18(11-29)25(31)32)17-6-19(26)9-20(27)7-17)13-33-24(23-12-30-14-34-23)16-4-2-15(10-28)3-5-16/h2-9,12,14,24H,13H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135387
PNG
(6-[(3'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(Cl)cc(Cl)c1)c1ccc(C#N)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C32H22Cl3N5O2/c1-39-18-38-16-29(39)31(20-6-7-21(14-36)27(11-20)19-4-3-5-24(33)8-19)42-17-30-28(12-23(15-37)32(41)40(30)2)22-9-25(34)13-26(35)10-22/h3-13,16,18,31H,17H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135380
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(F)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20FN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135374
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cc(F)ccc1F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19F2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-21(9-18(12-30)26(34)33(24)2)20-10-19(27)7-8-22(20)28/h3-10,13,15,25H,14H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135356
PNG
(6-[(2'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(c1)-c1ccccc1Cl
Show InChI InChI=1S/C33H23ClF3N5O3/c1-41-19-40-17-29(41)31(21-7-8-22(15-38)26(13-21)25-5-3-4-6-28(25)34)44-18-30-27(14-23(16-39)32(43)42(30)2)20-9-11-24(12-10-20)45-33(35,36)37/h3-14,17,19,31H,18H2,1-2H3
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n/an/a 3.90n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135376
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(2,3-dimet...)
Show SMILES Cc1ncc(C(OCc2c(cc(C#N)c(=O)n2C)-c2cccc(Cl)c2)c2ccc(cc2)C#N)n1C
Show InChI InChI=1S/C27H22ClN5O2/c1-17-31-15-24(32(17)2)26(19-9-7-18(13-29)8-10-19)35-16-25-23(20-5-4-6-22(28)11-20)12-21(14-30)27(34)33(25)3/h4-12,15,26H,16H2,1-3H3
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n/an/a 5.30n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135365
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(F)cc1F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19F2N5O2/c1-32-15-31-13-23(32)25(17-5-3-16(11-29)4-6-17)35-14-24-21(9-18(12-30)26(34)33(24)2)20-8-7-19(27)10-22(20)28/h3-10,13,15,25H,14H2,1-2H3
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n/an/a 5.5n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135359
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19Cl2N5O2/c1-32-15-31-13-22(32)25(17-8-6-16(11-29)7-9-17)35-14-23-20(10-18(12-30)26(34)33(23)2)19-4-3-5-21(27)24(19)28/h3-10,13,15,25H,14H2,1-2H3
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n/an/a 6.10n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135371
PNG
(6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(F)c1F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19F2N5O2/c1-32-15-31-13-22(32)25(17-8-6-16(11-29)7-9-17)35-14-23-20(10-18(12-30)26(34)33(23)2)19-4-3-5-21(27)24(19)28/h3-10,13,15,25H,14H2,1-2H3
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n/an/a 6.30n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112498
PNG
(US8623883, No. 1)
Show SMILES FCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C25H26ClF2N5O2/c26-19-13-17(6-7-20(19)28)31-25-18-14-22(23(35-12-8-27)15-21(18)29-16-30-25)32-24(34)5-4-11-33-9-2-1-3-10-33/h4-7,13-16H,1-3,8-12H2,(H,32,34)(H,29,30,31)/b5-4+
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US Patent
n/an/a 6.44n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135375
PNG
(6-[(4'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C33H23ClF3N5O3/c1-41-19-40-17-29(41)31(22-3-4-23(15-38)27(13-22)20-5-9-25(34)10-6-20)44-18-30-28(14-24(16-39)32(43)42(30)2)21-7-11-26(12-8-21)45-33(35,36)37/h3-14,17,19,31H,18H2,1-2H3
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n/an/a 6.5n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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n/an/a 6.90n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112500
PNG
(US8623883, No. 6)
Show SMILES FC(F)COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C25H25ClF3N5O2/c26-18-11-16(6-7-19(18)27)32-25-17-12-21(22(36-14-23(28)29)13-20(17)30-15-31-25)33-24(35)5-4-10-34-8-2-1-3-9-34/h4-7,11-13,15,23H,1-3,8-10,14H2,(H,33,35)(H,30,31,32)/b5-4+
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n/an/a 9.87n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50135385
PNG
(6-[(4-Cyano-phenyl)-thiazol-5-yl-methoxymethyl]-1-...)
Show SMILES Cn1c(COC(c2cncs2)c2ccc(cc2)C#N)c(cc(C#N)c1=O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H17F3N4O3S/c1-33-22(14-35-24(23-13-32-15-37-23)18-4-2-16(11-30)3-5-18)21(10-19(12-31)25(33)34)17-6-8-20(9-7-17)36-26(27,28)29/h2-10,13,15,24H,14H2,1H3
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n/an/a 9.90n/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)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112501
PNG
(US8623883, No. 7)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C30H36ClFN6O3/c31-24-18-22(7-8-25(24)32)35-30-23-19-27(36-29(39)6-4-11-37-9-2-1-3-10-37)28(20-26(23)33-21-34-30)41-15-5-12-38-13-16-40-17-14-38/h4,6-8,18-21H,1-3,5,9-17H2,(H,36,39)(H,33,34,35)/b6-4+
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n/an/a 11.3n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112504
PNG
(US8623883, No. 10)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCCC1
Show InChI InChI=1S/C25H27ClFN5O2/c1-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-2-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+
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n/an/a 12.1n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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n/an/a 16.7n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112503
PNG
(US8623883, No. 9)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-17(24(29-14-28-20)30-16-4-5-19(27)18(25)11-16)12-21(22)31-23(33)3-2-8-32-9-6-15(26)7-10-32/h2-5,11-15H,6-10H2,1H3,(H,31,33)(H,28,29,30)/b3-2+
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n/an/a 18.1n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
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