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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'janicot' and Initial = 'm'   
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))
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 [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))
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))
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))
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))
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 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 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))
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 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 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 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))
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
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))
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
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))
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
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
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
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
Histone deacetylase 9


(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 41n/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
Polyamine deacetylase HDAC10


(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 43n/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 7


(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 46n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7


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
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/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 55n/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
Histone deacetylase 6


(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 66n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


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
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/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 81n/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
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/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 81n/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
Histone deacetylase 7


(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 102n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7


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))
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 207n/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
Histone deacetylase 6


(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 224n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6


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
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/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 461n/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
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/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>1.00E+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
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



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