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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'skrzat' 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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127246
PNG
(8-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1cc2CCn3c2c(c1)c(cc3=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H22Cl2N4O/c1-33-16-32-15-25(33)28(31,19-5-7-21(29)8-6-19)20-11-18-9-10-34-26(35)14-23(24(13-20)27(18)34)17-3-2-4-22(30)12-17/h2-8,11-16H,9-10,31H2,1H3
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127246
PNG
(8-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1cc2CCn3c2c(c1)c(cc3=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H22Cl2N4O/c1-33-16-32-15-25(33)28(31,19-5-7-21(29)8-6-19)20-11-18-9-10-34-26(35)14-23(24(13-20)27(18)34)17-3-2-4-22(30)12-17/h2-8,11-16H,9-10,31H2,1H3
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranylprotein transferase-I at 10 uM


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50126335
PNG
(6-[(R)-Amino-(4-chloro-phenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1ccnc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-13-12-31-26(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(15-19)22(16-25(34)33(24)2)17-4-3-5-21(29)14-17/h3-16H,30H2,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14434
PNG
(6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3
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n/an/a 0.860n/an/an/an/a7.522



Janssen Research Foundation



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified human enzyme to catalyze the reaction between [3H] FPP and a biotinylated peptid...


Cancer Res 61: 131-7 (2001)


BindingDB Entry DOI: 10.7270/Q20C4T2R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175402
PNG
(CHEMBL371435 | N-(2,4-difluorobenzyl)-N-((4-(4-cya...)
Show SMILES Cc1nnc(CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)n1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C29H22F2N6O/c1-19-34-35-28(37(19)16-21-8-6-20(15-32)7-9-21)18-36(17-23-10-12-24(30)14-25(23)31)29(38)27-13-11-22-4-2-3-5-26(22)33-27/h2-14H,16-18H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127248
PNG
(6-(3-Chloro-phenyl)-8-[(4-chloro-phenyl)-hydroxy-(...)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1cc2CCn3c2c(c1)c(cc3=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H21Cl2N3O2/c1-32-16-31-15-25(32)28(35,19-5-7-21(29)8-6-19)20-11-18-9-10-33-26(34)14-23(24(13-20)27(18)33)17-3-2-4-22(30)12-17/h2-8,11-16,35H,9-10H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127252
PNG
(8-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1cc2OCCn3c2c(c1)c(cc3=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H22Cl2N4O2/c1-33-16-32-15-25(33)28(31,18-5-7-20(29)8-6-18)19-12-23-22(17-3-2-4-21(30)11-17)14-26(35)34-9-10-36-24(13-19)27(23)34/h2-8,11-16H,9-10,31H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175406
PNG
(CHEMBL200291 | N-((4-(4-cyanobenzyl)-4H-1,2,4-tria...)
Show SMILES [O-][N+](=O)c1ccc(CN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C28H21N7O3/c29-15-20-5-7-21(8-6-20)17-34-19-30-32-27(34)18-33(16-22-9-12-24(13-10-22)35(37)38)28(36)26-14-11-23-3-1-2-4-25(23)31-26/h1-14,19H,16-18H2
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n/an/a 1.60n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127254
PNG
(9-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1cc2CCCn3c2c(c1)c(cc3=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H24Cl2N4O/c1-34-17-33-16-26(34)29(32,20-7-9-22(30)10-8-20)21-12-19-5-3-11-35-27(36)15-24(25(14-21)28(19)35)18-4-2-6-23(31)13-18/h2,4,6-10,12-17H,3,5,11,32H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175395
PNG
(CHEMBL199965 | N-(2,4-difluorobenzyl)-N-((4-(4-cya...)
Show SMILES Fc1ccc(CN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3c2)c(F)c1
Show InChI InChI=1S/C29H21F2N5O/c30-26-12-11-25(27(31)14-26)17-35(29(37)24-10-9-22-3-1-2-4-23(22)13-24)18-28-34-33-19-36(28)16-21-7-5-20(15-32)6-8-21/h1-14,19H,16-18H2
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n/an/a 2.20n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175407
PNG
(CHEMBL371484 | N-(2,4-difluorobenzyl)-N-((4-(4-cya...)
Show SMILES Fc1ccc(CN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)c(F)c1
Show InChI InChI=1S/C28H20F2N6O/c29-23-11-9-22(24(30)13-23)16-35(28(37)26-12-10-21-3-1-2-4-25(21)33-26)17-27-34-32-18-36(27)15-20-7-5-19(14-31)6-8-20/h1-13,18H,15-17H2
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n/an/a 3.5n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127255
PNG
(6-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C26H20Cl2N4O/c1-32-15-30-14-24(32)26(29,17-5-8-19(27)9-6-17)18-7-10-23-22(12-18)21(13-25(33)31-23)16-3-2-4-20(28)11-16/h2-15H,29H2,1H3,(H,31,33)
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n/an/a 3.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127247
PNG
(1-(3-Chloro-phenyl)-9-[(4-chloro-phenyl)-hydroxy-(...)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1cc2CCCn3c2c(c1)c(cc3=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H23Cl2N3O2/c1-33-17-32-16-26(33)29(36,20-7-9-22(30)10-8-20)21-12-19-5-3-11-34-27(35)15-24(25(14-21)28(19)34)18-4-2-6-23(31)13-18/h2,4,6-10,12-17,36H,3,5,11H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175392
PNG
(CHEMBL371010 | N-((4-(4-cyanobenzyl)-4H-1,2,4-tria...)
Show SMILES Fc1ccc(CN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C28H21FN6O/c29-24-12-9-22(10-13-24)16-34(28(36)26-14-11-23-3-1-2-4-25(23)32-26)18-27-33-31-19-35(27)17-21-7-5-20(15-30)6-8-21/h1-14,19H,16-18H2
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n/an/a 5n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175408
PNG
(CHEMBL371423 | N-(2,4-difluorobenzyl)-N-((4-((5-cy...)
Show SMILES Fc1ccc(CN(Cc2nncn2Cc2ccc(cn2)C#N)C(=O)c2ccc3ccccc3n2)c(F)c1
Show InChI InChI=1S/C27H19F2N7O/c28-21-8-6-20(23(29)11-21)14-35(27(37)25-10-7-19-3-1-2-4-24(19)33-25)16-26-34-32-17-36(26)15-22-9-5-18(12-30)13-31-22/h1-11,13,17H,14-16H2
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n/an/a 5.5n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127249
PNG
(6-(3-Chloro-phenyl)-8-[(4-chloro-phenyl)-hydroxy-(...)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1cc2OCCn3c2c(c1)c(cc3=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H21Cl2N3O3/c1-32-16-31-15-25(32)28(35,18-5-7-20(29)8-6-18)19-12-23-22(17-3-2-4-21(30)11-17)14-26(34)33-9-10-36-24(13-19)27(23)33/h2-8,11-16,35H,9-10H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127257
PNG
(6-(3-Chloro-phenyl)-8-[(4-chloro-phenyl)-hydroxy-(...)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1cc2OCn3c2c(c1)c(cc3=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H19Cl2N3O3/c1-31-14-30-13-24(31)27(34,17-5-7-19(28)8-6-17)18-10-22-21(16-3-2-4-20(29)9-16)12-25(33)32-15-35-23(11-18)26(22)32/h2-14,34H,15H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127250
PNG
(6-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)nc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C26H21Cl2N5O/c1-32-15-30-14-23(32)26(29,17-6-9-19(27)10-7-17)18-8-11-22-21(13-18)24(31-25(34)33(22)2)16-4-3-5-20(28)12-16/h3-15H,29H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14434
PNG
(6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3
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n/an/a 7.90n/an/an/an/a7.522



Janssen Research Foundation



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified human enzyme to catalyze the reaction between [3H] FPP and a biotinylated peptid...


Cancer Res 61: 131-7 (2001)


BindingDB Entry DOI: 10.7270/Q20C4T2R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175394
PNG
(CHEMBL200193 | N-((4-(4-cyanobenzyl)-4H-1,2,4-tria...)
Show SMILES Fc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C29H23FN6O/c30-25-12-9-21(10-13-25)15-16-35(29(37)27-14-11-24-3-1-2-4-26(24)33-27)19-28-34-32-20-36(28)18-23-7-5-22(17-31)6-8-23/h1-14,20H,15-16,18-19H2
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n/an/a 19n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127256
PNG
(7-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1cccc(Cl)c1)C(N)(c1cncn1C)c1ccc(Cl)cc1 |c:9|
Show InChI InChI=1S/C27H23Cl2N5O/c1-33-16-31-14-24(33)27(30,18-6-9-20(28)10-7-18)19-8-11-23-22(13-19)26(32-15-25(35)34(23)2)17-4-3-5-21(29)12-17/h3-14,16H,15,30H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase at 0.1 uM


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175400
PNG
(CHEMBL201315 | N-(4-bromophenethyl)-N-((4-(4-cyano...)
Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C29H23BrN6O/c30-25-12-9-21(10-13-25)15-16-35(29(37)27-14-11-24-3-1-2-4-26(24)33-27)19-28-34-32-20-36(28)18-23-7-5-22(17-31)6-8-23/h1-14,20H,15-16,18-19H2
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n/an/a 26n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175403
PNG
(CHEMBL201299 | N-(4-bromophenethyl)-N-((4-(4-cyano...)
Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C30H24BrN5O/c31-28-13-9-22(10-14-28)15-16-35(30(37)27-12-11-25-3-1-2-4-26(25)17-27)20-29-34-33-21-36(29)19-24-7-5-23(18-32)6-8-24/h1-14,17,21H,15-16,19-20H2
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n/an/a 28.3n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127258
PNG
(2-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES CN1c2ccc(cc2C(SCC1=O)c1cccc(Cl)c1)C(N)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24Cl2N4OS/c1-32-16-31-14-24(32)27(30,18-6-9-20(28)10-7-18)19-8-11-23-22(13-19)26(35-15-25(34)33(23)2)17-4-3-5-21(29)12-17/h3-14,16,26H,15,30H2,1-2H3
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n/an/a 29n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175401
PNG
(CHEMBL199468 | N-((4-(4-cyanobenzyl)-4H-1,2,4-tria...)
Show SMILES O=C(N(Cc1nncn1Cc1ccc(cc1)C#N)c1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C33H24N6O2/c34-20-24-10-12-25(13-11-24)21-38-23-35-37-32(38)22-39(33(40)31-19-14-26-6-4-5-9-30(26)36-31)27-15-17-29(18-16-27)41-28-7-2-1-3-8-28/h1-19,23H,21-22H2
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n/an/a 44n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127251
PNG
(7-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES CN1c2ccc(cc2C(OCC1=O)c1cccc(Cl)c1)C(N)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24Cl2N4O2/c1-32-16-31-14-24(32)27(30,18-6-9-20(28)10-7-18)19-8-11-23-22(13-19)26(35-15-25(34)33(23)2)17-4-3-5-21(29)12-17/h3-14,16,26H,15,30H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase at 0.1 uM


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175405
PNG
(CHEMBL201066 | N-(4-bromophenethyl)-N-((4-(4-cyano...)
Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C28H22BrN5O2/c29-24-11-9-20(10-12-24)13-14-33(28(35)26-15-23-3-1-2-4-25(23)36-26)18-27-32-31-19-34(27)17-22-7-5-21(16-30)6-8-22/h1-12,15,19H,13-14,17-18H2
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n/an/a 53.2n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175397
PNG
(CHEMBL370381 | N-(4-bromophenethyl)-N-((4-(4-cyano...)
Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C27H22BrN5O3/c28-23-8-5-19(6-9-23)11-12-32(27(34)22-7-10-24-25(13-22)36-18-35-24)16-26-31-30-17-33(26)15-21-3-1-20(14-29)2-4-21/h1-10,13,17H,11-12,15-16,18H2
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n/an/a 61n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175399
PNG
(CHEMBL199365 | N-((4-(4-cyanobenzyl)-4H-1,2,4-tria...)
Show SMILES COc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C30H26N6O2/c1-38-26-13-10-22(11-14-26)16-17-35(30(37)28-15-12-25-4-2-3-5-27(25)33-28)20-29-34-32-21-36(29)19-24-8-6-23(18-31)7-9-24/h2-15,21H,16-17,19-20H2,1H3
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n/an/a 75n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175393
PNG
(CHEMBL200343 | N-(4-bromophenethyl)-N-((4-(4-cyano...)
Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C28H22BrN5OS/c29-24-11-9-20(10-12-24)13-14-33(28(35)26-15-23-3-1-2-4-25(23)36-26)18-27-32-31-19-34(27)17-22-7-5-21(16-30)6-8-22/h1-12,15,19H,13-14,17-18H2
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n/an/a 89.3n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175409
PNG
(CHEMBL426837 | N-(4-bromophenethyl)-N-((4-(4-cyano...)
Show SMILES COc1cc(nc2ccccc12)C(=O)N(CCc1ccc(Br)cc1)Cc1nncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C30H25BrN6O2/c1-39-28-16-27(34-26-5-3-2-4-25(26)28)30(38)36(15-14-21-10-12-24(31)13-11-21)19-29-35-33-20-37(29)18-23-8-6-22(17-32)7-9-23/h2-13,16,20H,14-15,18-19H2,1H3
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n/an/a 96.5n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175398
PNG
(CHEMBL381432 | N-(4-bromophenethyl)-N-((4-(4-cyano...)
Show SMILES Brc1ccc(CCN(Cc2nncn2Cc2ccc(cc2)C#N)C(=O)c2ccco2)cc1
Show InChI InChI=1S/C24H20BrN5O2/c25-21-9-7-18(8-10-21)11-12-29(24(31)22-2-1-13-32-22)16-23-28-27-17-30(23)15-20-5-3-19(14-26)4-6-20/h1-10,13,17H,11-12,15-16H2
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n/an/a 99.3n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175404
PNG
(CHEMBL200829 | N-(2,4-difluorobenzyl)-N-((1-(4-cya...)
Show SMILES Fc1ccc(CN(Cc2cncn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)c(F)c1
Show InChI InChI=1S/C29H21F2N5O/c30-24-11-9-23(26(31)13-24)17-35(29(37)28-12-10-22-3-1-2-4-27(22)34-28)18-25-15-33-19-36(25)16-21-7-5-20(14-32)6-8-21/h1-13,15,19H,16-18H2
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n/an/a 187n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50175396
PNG
(CHEMBL199491 | N-(2,4-difluorobenzyl)-N-((1-(4-cya...)
Show SMILES Fc1ccc(CN(Cc2nnnn2Cc2ccc(cc2)C#N)C(=O)c2ccc3ccccc3n2)c(F)c1
Show InChI InChI=1S/C27H19F2N7O/c28-22-11-9-21(23(29)13-22)16-35(27(37)25-12-10-20-3-1-2-4-24(20)31-25)17-26-32-33-34-36(26)15-19-7-5-18(14-30)6-8-19/h1-13H,15-17H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against K-Ras farnesyl transferase


Bioorg Med Chem Lett 15: 5407-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.007
BindingDB Entry DOI: 10.7270/Q2S18239
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127246
PNG
(8-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1cc2CCn3c2c(c1)c(cc3=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H22Cl2N4O/c1-33-16-32-15-25(33)28(31,19-5-7-21(29)8-6-19)20-11-18-9-10-34-26(35)14-23(24(13-20)27(18)34)17-3-2-4-22(30)12-17/h2-8,11-16H,9-10,31H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranylprotein transferase-I -catalyzed incorporation of [3H]-GGPP into biotin YRASNRSCAIL substrate


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127246
PNG
(8-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1cc2CCn3c2c(c1)c(cc3=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H22Cl2N4O/c1-33-16-32-15-25(33)28(31,19-5-7-21(29)8-6-19)20-11-18-9-10-34-26(35)14-23(24(13-20)27(18)34)17-3-2-4-22(30)12-17/h2-8,11-16H,9-10,31H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotinylated laminB peptide by farnesyl transferase


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50126335
PNG
(6-[(R)-Amino-(4-chloro-phenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1ccnc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-13-12-31-26(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(15-19)22(16-25(34)33(24)2)17-4-3-5-21(29)14-17/h3-16H,30H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranylprotein transferase-I -catalyzed incorporation of [3H]-GGPP into biotin YRASNRSCAIL substrate


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50127256
PNG
(7-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1cccc(Cl)c1)C(N)(c1cncn1C)c1ccc(Cl)cc1 |c:9|
Show InChI InChI=1S/C27H23Cl2N5O/c1-33-16-31-14-24(33)27(30,18-6-9-20(28)10-7-18)19-8-11-23-22(13-19)26(32-15-25(35)34(23)2)17-4-3-5-21(29)12-17/h3-14,16H,15,30H2,1-2H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranylprotein transferase-I -catalyzed incorporation of [3H]-GGPP into biotin YRASNRSCAIL substrate


Bioorg Med Chem Lett 13: 1543-7 (2003)


BindingDB Entry DOI: 10.7270/Q2M61JNS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta [A2V]/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM14434
PNG
(6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3
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Janssen Research Foundation



Assay Description
Compounds were tested as inhibitors of GGTase-1 in vitro using purified human enzyme to catalyze the reaction between [3H] GGPP and a biotinylated pe...


Cancer Res 61: 131-7 (2001)


BindingDB Entry DOI: 10.7270/Q20C4T2R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)