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Compile Data Set for Download or QSAR

Found 697 hits with Last Name = 'pilatte' and Initial = 'i'   
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))
BDBM50136383
PNG
((4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(nc1nnnn21)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H18Cl2N8/c1-34-14-29-13-22(34)25(28,16-5-8-18(26)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(27)11-15)30-24-31-32-33-35(21)24/h2-14H,28H2,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranylprotein transferase-I catalyzed incorporation of [3H]-GGPP into biotinYRASNRSCAIL peptide


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136383
PNG
((4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(nc1nnnn21)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H18Cl2N8/c1-34-14-29-13-22(34)25(28,16-5-8-18(26)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(27)11-15)30-24-31-32-33-35(21)24/h2-14H,28H2,1H3
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Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
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))
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 0.900n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4361-4 (2003)


BindingDB Entry DOI: 10.7270/Q25H7FPB
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 0.900n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
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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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))
BDBM50136377
PNG
(4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-(4-methyl...)
Show SMILES Cn1cnnc1C(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C26H20Cl2N4O/c1-31-15-29-30-26(31)25(16-6-9-19(27)10-7-16)18-8-11-23-22(13-18)21(14-24(33)32(23)2)17-4-3-5-20(28)12-17/h3-15,25H,1-2H3
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Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4361-4 (2003)


BindingDB Entry DOI: 10.7270/Q25H7FPB
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136375
PNG
(6-[Amino-(4-chloro-phenyl)-(4-methyl-4H-[1,2,4]tri...)
Show SMILES Cn1cnnc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C26H21Cl2N5O/c1-32-15-30-31-25(32)26(29,17-6-9-19(27)10-7-17)18-8-11-23-22(13-18)21(14-24(34)33(23)2)16-4-3-5-20(28)12-16/h3-15H,29H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4361-4 (2003)


BindingDB Entry DOI: 10.7270/Q25H7FPB
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136385
PNG
(C-(4-Chloro-phenyl)-C-[5-(3-chloro-phenyl)-1-methy...)
Show SMILES Cc1nnc2cc(-c3cccc(Cl)c3)c3cc(ccc3n12)C(N)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H22Cl2N6/c1-17-33-34-27-14-23(18-4-3-5-22(30)12-18)24-13-20(8-11-25(24)36(17)27)28(31,26-15-32-16-35(26)2)19-6-9-21(29)10-7-19/h3-16H,31H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
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))
BDBM50136384
PNG
((4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(cc1nnnn21)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H19Cl2N7/c1-34-15-30-14-24(34)26(29,17-5-8-19(27)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-20(28)11-16/h2-15H,29H2,1H3
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Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136384
PNG
((4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(cc1nnnn21)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H19Cl2N7/c1-34-15-30-14-24(34)26(29,17-5-8-19(27)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-20(28)11-16/h2-15H,29H2,1H3
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Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranylprotein transferase-I catalyzed incorporation of [3H]-GGPP into biotinYRASNRSCAIL peptide


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
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))
BDBM50136379
PNG
(4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-hydroxy-(...)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H21Cl2N3O2/c1-31-16-30-15-25(31)27(34,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(33)32(24)2)17-4-3-5-21(29)12-17/h3-16,34H,1-2H3
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n/an/a 1.70n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4361-4 (2003)


BindingDB Entry DOI: 10.7270/Q25H7FPB
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 2.10n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 2.5n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136389
PNG
(C-(4-Chloro-phenyl)-C-[5-(3-chloro-phenyl)-[1,2,4]...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(nc1nncn21)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H19Cl2N7/c1-34-14-30-13-23(34)26(29,17-5-8-19(27)9-6-17)18-7-10-22-21(12-18)24(16-3-2-4-20(28)11-16)32-25-33-31-15-35(22)25/h2-15H,29H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136376
PNG
(4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-(3-methyl...)
Show SMILES Cn1cncc1C(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H21Cl2N3O/c1-31-16-30-15-25(31)27(17-6-9-20(28)10-7-17)19-8-11-24-23(13-19)22(14-26(33)32(24)2)18-4-3-5-21(29)12-18/h3-16,27H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4361-4 (2003)


BindingDB Entry DOI: 10.7270/Q25H7FPB
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))
BDBM50136384
PNG
((4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(cc1nnnn21)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H19Cl2N7/c1-34-15-30-14-24(34)26(29,17-5-8-19(27)9-6-17)18-7-10-23-22(12-18)21(13-25-31-32-33-35(23)25)16-3-2-4-20(28)11-16/h2-15H,29H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranylprotein transferase-I catalyzed incorporation of [3H]-GGPP into biotinYRASNRSCAIL peptide


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136380
PNG
(4-(3-Chloro-phenyl)-6-[1-(4-chloro-phenyl)-1-(3-me...)
Show SMILES Cn1cncc1C(C)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C28H23Cl2N3O/c1-28(26-16-31-17-32(26)2,19-7-10-21(29)11-8-19)20-9-12-25-24(14-20)23(15-27(34)33(25)3)18-5-4-6-22(30)13-18/h4-17H,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4361-4 (2003)


BindingDB Entry DOI: 10.7270/Q25H7FPB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136378
PNG
(4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-hydroxy-(...)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C26H19Cl2N3O2/c1-31-15-29-14-24(31)26(33,17-5-8-19(27)9-6-17)18-7-10-23-22(12-18)21(13-25(32)30-23)16-3-2-4-20(28)11-16/h2-15,33H,1H3,(H,30,32)
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n/an/a 4n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4361-4 (2003)


BindingDB Entry DOI: 10.7270/Q25H7FPB
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
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 4.30n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 4.60n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136386
PNG
(C-(4-Chloro-phenyl)-C-[5-(3-chloro-phenyl)-imidazo...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(nc1nccn21)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H20Cl2N6/c1-34-16-31-15-24(34)27(30,18-5-8-20(28)9-6-18)19-7-10-23-22(14-19)25(17-3-2-4-21(29)13-17)33-26-32-11-12-35(23)26/h2-16H,30H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136382
PNG
(4-(3-Chloro-phenyl)-6-[1-(4-chloro-phenyl)-1-(4-me...)
Show SMILES Cn1cnnc1C(C)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C27H22Cl2N4O/c1-27(26-31-30-16-32(26)2,18-7-10-20(28)11-8-18)19-9-12-24-23(14-19)22(15-25(34)33(24)3)17-5-4-6-21(29)13-17/h4-16H,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4361-4 (2003)


BindingDB Entry DOI: 10.7270/Q25H7FPB
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136381
PNG
(4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-hydroxy-(...)
Show SMILES Cn1cnnc1C(O)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C26H20Cl2N4O2/c1-31-15-29-30-25(31)26(34,17-6-9-19(27)10-7-17)18-8-11-23-22(13-18)21(14-24(33)32(23)2)16-4-3-5-20(28)12-16/h3-15,34H,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4361-4 (2003)


BindingDB Entry DOI: 10.7270/Q25H7FPB
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))
BDBM50136387
PNG
(C-(4-Chloro-phenyl)-C-[5-(3-chloro-phenyl)-imidazo...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(cc1nccn21)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H21Cl2N5/c1-34-17-32-16-26(34)28(31,19-5-8-21(29)9-6-19)20-7-10-25-24(14-20)23(15-27-33-11-12-35(25)27)18-3-2-4-22(30)13-18/h2-17H,31H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 7.10n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50304783
PNG
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)
Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+
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n/an/a 7.10n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 9n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 9n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM335695
PNG
(US9737544, Compound 13)
Show SMILES COc1cc(OC)cc(c1)C(CCO)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H24N4O3/c1-27-14-17(13-25-27)16-10-23-22(24-12-16)5-4-21(26-23)20(6-7-28)15-8-18(29-2)11-19(9-15)30-3/h4-5,8-14,20,28H,6-7H2,1-3H3
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US Patent
n/an/a 15.8n/an/an/an/an/an/a



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR3 (h) (40 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9737544 (2017)


BindingDB Entry DOI: 10.7270/Q2H70HZF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50304783
PNG
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)
Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+
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n/an/a 18n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50304783
PNG
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)
Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+
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n/an/a 21n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
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
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50304783
PNG
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)
Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+
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n/an/a 22n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136383
PNG
((4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a...)
Show SMILES Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(nc1nnnn21)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H18Cl2N8/c1-34-14-29-13-22(34)25(28,16-5-8-18(26)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(27)11-15)30-24-31-32-33-35(21)24/h2-14H,28H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


Assay Description
Inhibition of Geranylgeranylprotein transferase-I catalyzed incorporation of [3H]-GGPP into biotinYRASNRSCAIL peptide at 10 uM


Bioorg Med Chem Lett 13: 4365-9 (2003)


BindingDB Entry DOI: 10.7270/Q21R6PX5
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50136374
PNG
(4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-hydroxy-(...)
Show SMILES Cn1cnnc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C25H18Cl2N4O2/c1-31-14-28-30-24(31)25(33,16-5-8-18(26)9-6-16)17-7-10-22-21(12-17)20(13-23(32)29-22)15-3-2-4-19(27)11-15/h2-14,33H,1H3,(H,29,32)
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n/an/a 26n/an/an/an/an/an/a



Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD)

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4361-4 (2003)


BindingDB Entry DOI: 10.7270/Q25H7FPB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 27n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 28n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
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
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50304783
PNG
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)
Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+
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n/an/a 30n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50304783
PNG
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)
Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+
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n/an/a 30n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3


Bioorg Med Chem Lett 20: 294-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
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