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Compile Data Set for Download or QSAR

Found 646 hits with Last Name = 'fakhoury' and Initial = 's'   
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))
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 |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27|
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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n/an/a 0.120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075837
PNG
((S)-2-({5-[2-(3H-Imidazol-4-yl)-ethyl]-2'-methyl-b...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C24H27N3O3S/c1-16-5-3-4-6-19(16)21-13-17(7-9-18-14-25-15-26-18)8-10-20(21)23(28)27-22(24(29)30)11-12-31-2/h3-6,8,10,13-15,22H,7,9,11-12H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)/t22-/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075851
PNG
((S)-2-{[5-(2-Imidazol-1-yl-vinyl)-2'-methyl-biphen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\n2ccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C24H25N3O3S/c1-17-5-3-4-6-19(17)21-15-18(9-12-27-13-11-25-16-27)7-8-20(21)23(28)26-22(24(29)30)10-14-31-2/h3-9,11-13,15-16,22H,10,14H2,1-2H3,(H,26,28)(H,29,30)/b12-9+/t22-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075861
PNG
((S)-2-{[5-(2-Imidazol-1-yl-ethyl)-2'-methyl-biphen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CCn2ccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C24H27N3O3S/c1-17-5-3-4-6-19(17)21-15-18(9-12-27-13-11-25-16-27)7-8-20(21)23(28)26-22(24(29)30)10-14-31-2/h3-8,11,13,15-16,22H,9-10,12,14H2,1-2H3,(H,26,28)(H,29,30)/t22-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075844
PNG
((S)-2-({5-[2-((E)-4-Hydroxy-pyridin-3-yl)-vinyl]-2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(C=Cc2cnccc2O)cc1-c1ccccc1C)C(O)=O |w:13.13|
Show InChI InChI=1S/C26H26N2O4S/c1-17-5-3-4-6-20(17)22-15-18(7-9-19-16-27-13-11-24(19)29)8-10-21(22)25(30)28-23(26(31)32)12-14-33-2/h3-11,13,15-16,23H,12,14H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)/t23-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075842
PNG
((S)-2-({5-[2-((E)-4-Chloro-pyridin-3-yl)-vinyl]-2'...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2Cl)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C26H25ClN2O3S/c1-17-5-3-4-6-20(17)22-15-18(7-9-19-16-28-13-11-23(19)27)8-10-21(22)25(30)29-24(26(31)32)12-14-33-2/h3-11,13,15-16,24H,12,14H2,1-2H3,(H,29,30)(H,31,32)/b9-7+/t24-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075850
PNG
((S)-2-[(5-{2-[(E)-4-(3,5-Difluoro-benzyloxy)-pyrid...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2OCc2cc(F)cc(F)c2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H30F2N2O4S/c1-21-5-3-4-6-27(21)29-17-22(8-10-28(29)32(38)37-30(33(39)40)12-14-42-2)7-9-24-19-36-13-11-31(24)41-20-23-15-25(34)18-26(35)16-23/h3-11,13,15-19,30H,12,14,20H2,1-2H3,(H,37,38)(H,39,40)/b9-7+/t30-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2G73CWQ
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))
BDBM50075859
PNG
((S)-2-[(5-{2-[4-(Adamantan-1-yl-hydroxy-methyl)-py...)
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 |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27|
Show InChI InChI=1S/C37H42N2O4S/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/h3-11,13,18,22,25-27,33-34,40H,12,14-17,19-21H2,1-2H3,(H,39,41)(H,42,43)/b9-7+/t25-,26+,27-,33-,34?,37-/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50067563
PNG
((S)-2-{[2'-Methyl-5-(pyridin-3-yloxymethyl)-biphen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C25H26N2O4S/c1-17-6-3-4-8-20(17)22-14-18(16-31-19-7-5-12-26-15-19)9-10-21(22)24(28)27-23(25(29)30)11-13-32-2/h3-10,12,14-15,23H,11,13,16H2,1-2H3,(H,27,28)(H,29,30)/t23-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2G73CWQ
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))
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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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))
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))
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))
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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n/an/a 0.440n/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))
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))
BDBM50067584
PNG
((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075865
PNG
((S)-2-[(5-{2-[(E)-4-(Cyclohexyl-hydroxy-methyl)-py...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(O)C2CCCCC2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H38N2O4S/c1-22-8-6-7-11-26(22)29-20-23(13-15-28(29)32(37)35-30(33(38)39)17-19-40-2)12-14-25-21-34-18-16-27(25)31(36)24-9-4-3-5-10-24/h6-8,11-16,18,20-21,24,30-31,36H,3-5,9-10,17,19H2,1-2H3,(H,35,37)(H,38,39)/b14-12+/t30-,31?/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075867
PNG
((S)-2-[(5-{2-[(E)-4-(Hydroxy-phenyl-methyl)-pyridi...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(O)c2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H32N2O4S/c1-22-8-6-7-11-26(22)29-20-23(13-15-28(29)32(37)35-30(33(38)39)17-19-40-2)12-14-25-21-34-18-16-27(25)31(36)24-9-4-3-5-10-24/h3-16,18,20-21,30-31,36H,17,19H2,1-2H3,(H,35,37)(H,38,39)/b14-12+/t30-,31?/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075838
PNG
((S)-2-{[5-((Z)-1-Cyano-2-pyridin-3-yl-vinyl)-2'-me...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1-c1ccccc1C)C(=C\c1cccnc1)\C#N)C(O)=O
Show InChI InChI=1S/C27H25N3O3S/c1-18-6-3-4-8-22(18)24-15-20(21(16-28)14-19-7-5-12-29-17-19)9-10-23(24)26(31)30-25(27(32)33)11-13-34-2/h3-10,12,14-15,17,25H,11,13H2,1-2H3,(H,30,31)(H,32,33)/b21-14+/t25-/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075856
PNG
((S)-2-({2'-Methyl-5-[((E)-2-pyridin-3-yl)-vinyl]-b...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C26H26N2O3S/c1-18-6-3-4-8-21(18)23-16-19(9-10-20-7-5-14-27-17-20)11-12-22(23)25(29)28-24(26(30)31)13-15-32-2/h3-12,14,16-17,24H,13,15H2,1-2H3,(H,28,29)(H,30,31)/b10-9+/t24-/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075857
PNG
((S)-2-({5-[(E)-2-(3H-Imidazol-4-yl)-vinyl]-2'-meth...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(C=Cc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O |w:13.13|
Show InChI InChI=1S/C24H25N3O3S/c1-16-5-3-4-6-19(16)21-13-17(7-9-18-14-25-15-26-18)8-10-20(21)23(28)27-22(24(29)30)11-12-31-2/h3-10,13-15,22H,11-12H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)/t22-/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075839
PNG
((S)-2-[(5-{2-[(E)-4-(Hydroxy-diphenyl-methyl)-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(O)(c2ccccc2)c2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C39H36N2O4S/c1-27-11-9-10-16-32(27)34-25-28(18-20-33(34)37(42)41-36(38(43)44)22-24-46-2)17-19-29-26-40-23-21-35(29)39(45,30-12-5-3-6-13-30)31-14-7-4-8-15-31/h3-21,23,25-26,36,45H,22,24H2,1-2H3,(H,41,42)(H,43,44)/b19-17+/t36-/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
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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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))
BDBM50075847
PNG
((S)-2-{[5-(2-Isoquinolin-4-yl-vinyl)-2'-methyl-bip...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cncc3ccccc23)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C30H28N2O3S/c1-20-7-3-5-9-24(20)27-17-21(11-13-23-19-31-18-22-8-4-6-10-25(22)23)12-14-26(27)29(33)32-28(30(34)35)15-16-36-2/h3-14,17-19,28H,15-16H2,1-2H3,(H,32,33)(H,34,35)/b13-11+/t28-/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075866
PNG
((S)-2-[(5-{2-[(E)-4-(1-Hydroxy-cyclohexyl)-pyridin...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C2(O)CCCCC2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H36N2O4S/c1-22-8-4-5-9-25(22)27-20-23(11-13-26(27)30(35)34-29(31(36)37)15-19-39-2)10-12-24-21-33-18-14-28(24)32(38)16-6-3-7-17-32/h4-5,8-14,18,20-21,29,38H,3,6-7,15-17,19H2,1-2H3,(H,34,35)(H,36,37)/b12-10+/t29-/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
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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n/an/a 0.810n/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))
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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n/an/a 0.840n/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))
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))
BDBM50075853
PNG
((S)-2-{[5-((Z)-1-tert-Butoxycarbonyl-2-pyridin-3-y...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1-c1ccccc1C)C(=C\c1cccnc1)\C(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C31H34N2O5S/c1-20-9-6-7-11-23(20)26-18-22(12-13-24(26)28(34)33-27(29(35)36)14-16-39-5)25(30(37)38-31(2,3)4)17-21-10-8-15-32-19-21/h6-13,15,17-19,27H,14,16H2,1-5H3,(H,33,34)(H,35,36)/b25-17-/t27-/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50075852
PNG
((S)-2-({5-[2-((E)-4-Benzoyl-pyridin-3-yl)-vinyl]-2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(=O)c2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H30N2O4S/c1-22-8-6-7-11-26(22)29-20-23(13-15-28(29)32(37)35-30(33(38)39)17-19-40-2)12-14-25-21-34-18-16-27(25)31(36)24-9-4-3-5-10-24/h3-16,18,20-21,30H,17,19H2,1-2H3,(H,35,37)(H,38,39)/b14-12+/t30-/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)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
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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n/an/a 0.970n/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))
BDBM50191587
PNG
(CHEMBL3968417)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
Show InChI InChI=1S/C19H18ClFN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50191486
PNG
(CHEMBL3959248)
Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C31H33N7O3/c1-37(2)13-7-10-30(39)36-27-17-25-26(18-29(27)41-15-14-40-3)32-21-33-31(25)35-24-11-12-28-23(16-24)19-34-38(28)20-22-8-5-4-6-9-22/h4-12,16-19,21H,13-15,20H2,1-3H3,(H,36,39)(H,32,33,35)/b10-7+
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University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...


J Med Chem 59: 8103-24 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382321
PNG
(CHEMBL2024688)
Show SMILES Cc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1
Show InChI InChI=1S/C18H15N5O/c1-11-9-21-23(16-5-3-4-12(2)22-16)17(11)13-6-7-15-14(8-13)18(24)20-10-19-15/h3-10H,1-2H3,(H,19,20,24)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50382322
PNG
(CHEMBL2024689)
Show SMILES CCc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1
Show InChI InChI=1S/C20H19N5O/c1-4-15-11-18(25(23-15)19-7-5-6-13(2)22-19)14-8-9-17-16(10-14)20(26)24(3)12-21-17/h5-12H,4H2,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 3392-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9
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
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