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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50013160   
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))
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
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
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
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))
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))
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))
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
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
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
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))
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))
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
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