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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'muller' and Initial = 'p'   
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
Purine nucleoside phosphorylase


(Toxoplasma gondii)
BDBM50200328
PNG
((4S,8R,9aS)-4-benzyl-8-(benzyloxy)-hexahydro-1H-py...)
Show SMILES O=C1N[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)N1)OCc1ccccc1
Show InChI InChI=1S/C21H23N3O3/c25-20-18(11-15-7-3-1-4-8-15)22-21(26)23-19-12-17(13-24(19)20)27-14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H2,22,23,26)/t17-,18+,19+/m1/s1
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8.00E+3n/an/an/an/an/an/an/an/a



CNRS UMR 7175

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii purine nucleoside phosphorylase


J Med Chem 49: 6768-78 (2006)


Article DOI: 10.1021/jm0606589
BindingDB Entry DOI: 10.7270/Q2WH2PND
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))
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))
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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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))
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 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))
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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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))
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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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 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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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))
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))
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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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))
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))
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))
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
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))
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))
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))
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
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
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))
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



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
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50200327
PNG
((E)-4-(6-Benzyl-1-methyl-4,7-dioxo-[1,3,5]triazepa...)
Show SMILES CN1CN(C\C=C\C(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C16H19N3O4/c1-18-11-19(9-5-8-14(20)21)16(23)17-13(15(18)22)10-12-6-3-2-4-7-12/h2-8,13H,9-11H2,1H3,(H,17,23)(H,20,21)/b8-5+/t13-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



CNRS UMR 7175

Curated by ChEMBL


Assay Description
Inhibition of human group 10 sPLA2


J Med Chem 49: 6768-78 (2006)


Article DOI: 10.1021/jm0606589
BindingDB Entry DOI: 10.7270/Q2WH2PND
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
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM50200326
PNG
(((S)-7-benzyl-3-tert-butoxycarbonylmethyl-5-methyl...)
Show SMILES CN1CN(CC(=O)OC(C)(C)C)C(=O)N(CC(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H35N3O6/c1-23(2,3)32-19(28)14-26-16-25(7)21(30)18(13-17-11-9-8-10-12-17)27(22(26)31)15-20(29)33-24(4,5)6/h8-12,18H,13-16H2,1-7H3/t18-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



CNRS UMR 7175

Curated by ChEMBL


Assay Description
Inhibition of human group 5 sPLA2


J Med Chem 49: 6768-78 (2006)


Article DOI: 10.1021/jm0606589
BindingDB Entry DOI: 10.7270/Q2WH2PND
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50200326
PNG
(((S)-7-benzyl-3-tert-butoxycarbonylmethyl-5-methyl...)
Show SMILES CN1CN(CC(=O)OC(C)(C)C)C(=O)N(CC(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C24H35N3O6/c1-23(2,3)32-19(28)14-26-16-25(7)21(30)18(13-17-11-9-8-10-12-17)27(22(26)31)15-20(29)33-24(4,5)6/h8-12,18H,13-16H2,1-7H3/t18-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



CNRS UMR 7175

Curated by ChEMBL


Assay Description
Inhibition of human group 10 sPLA2


J Med Chem 49: 6768-78 (2006)


Article DOI: 10.1021/jm0606589
BindingDB Entry DOI: 10.7270/Q2WH2PND
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50200325
PNG
((S)-tert-butyl 2-(6-isopropyl-1-methyl-4,7-dioxo-1...)
Show SMILES CC(C)[C@@H]1NC(=O)N(CC(=O)OC(C)(C)C)CN(C)C1=O
Show InChI InChI=1S/C14H25N3O4/c1-9(2)11-12(19)16(6)8-17(13(20)15-11)7-10(18)21-14(3,4)5/h9,11H,7-8H2,1-6H3,(H,15,20)/t11-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



CNRS UMR 7175

Curated by ChEMBL


Assay Description
Inhibition of human group 10 sPLA2


J Med Chem 49: 6768-78 (2006)


Article DOI: 10.1021/jm0606589
BindingDB Entry DOI: 10.7270/Q2WH2PND
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM50200324
PNG
((4S,7S)-4,7-dibenzyl-5-methyl-1,3,5-triazepane-2,6...)
Show SMILES CN1[C@@H](Cc2ccccc2)NC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C19H21N3O2/c1-22-17(13-15-10-6-3-7-11-15)21-19(24)20-16(18(22)23)12-14-8-4-2-5-9-14/h2-11,16-17H,12-13H2,1H3,(H2,20,21,24)/t16-,17-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



CNRS UMR 7175

Curated by ChEMBL


Assay Description
Inhibition of human group 5 sPLA2


J Med Chem 49: 6768-78 (2006)


Article DOI: 10.1021/jm0606589
BindingDB Entry DOI: 10.7270/Q2WH2PND
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM50200325
PNG
((S)-tert-butyl 2-(6-isopropyl-1-methyl-4,7-dioxo-1...)
Show SMILES CC(C)[C@@H]1NC(=O)N(CC(=O)OC(C)(C)C)CN(C)C1=O
Show InChI InChI=1S/C14H25N3O4/c1-9(2)11-12(19)16(6)8-17(13(20)15-11)7-10(18)21-14(3,4)5/h9,11H,7-8H2,1-6H3,(H,15,20)/t11-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



CNRS UMR 7175

Curated by ChEMBL


Assay Description
Inhibition of human group 5 sPLA2


J Med Chem 49: 6768-78 (2006)


Article DOI: 10.1021/jm0606589
BindingDB Entry DOI: 10.7270/Q2WH2PND
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM50200327
PNG
((E)-4-(6-Benzyl-1-methyl-4,7-dioxo-[1,3,5]triazepa...)
Show SMILES CN1CN(C\C=C\C(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C16H19N3O4/c1-18-11-19(9-5-8-14(20)21)16(23)17-13(15(18)22)10-12-6-3-2-4-7-12/h2-8,13H,9-11H2,1H3,(H,17,23)(H,20,21)/b8-5+/t13-/m0/s1
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CNRS UMR 7175

Curated by ChEMBL


Assay Description
Inhibition of human group 5 sPLA2


J Med Chem 49: 6768-78 (2006)


Article DOI: 10.1021/jm0606589
BindingDB Entry DOI: 10.7270/Q2WH2PND
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50200324
PNG
((4S,7S)-4,7-dibenzyl-5-methyl-1,3,5-triazepane-2,6...)
Show SMILES CN1[C@@H](Cc2ccccc2)NC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C19H21N3O2/c1-22-17(13-15-10-6-3-7-11-15)21-19(24)20-16(18(22)23)12-14-8-4-2-5-9-14/h2-11,16-17H,12-13H2,1H3,(H2,20,21,24)/t16-,17-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



CNRS UMR 7175

Curated by ChEMBL


Assay Description
Inhibition of human group 10 sPLA2


J Med Chem 49: 6768-78 (2006)


Article DOI: 10.1021/jm0606589
BindingDB Entry DOI: 10.7270/Q2WH2PND
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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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
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM384105
PNG
(US10280167, Example 34)
Show SMILES COCCc1nnc(o1)-c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C17H17N7O3/c1-26-8-7-11-22-23-16(27-11)14-20-13(18)12-15(21-14)24(17(25)19-12)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,19,25)(H2,18,20,21)
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n/an/an/an/a 690n/an/an/an/a



University of Nottingham



Assay Description
Activation of human TLR7 results in robust production of interferon by plasmacytoid dendritic cells present in human blood. The potential of compound...


Br J Pharmacol 144: 317-22 (2005)


BindingDB Entry DOI: 10.7270/Q2Z60RDV
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM384106
PNG
(US10280167, Example 35)
Show SMILES Cc1cnn(c1)-c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C16H15N7O/c1-10-7-18-23(8-10)15-20-13(17)12-14(21-15)22(16(24)19-12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,24)(H2,17,20,21)
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n/an/an/an/a 170n/an/an/an/a



University of Nottingham



Assay Description
Activation of human TLR7 results in robust production of interferon by plasmacytoid dendritic cells present in human blood. The potential of compound...


Br J Pharmacol 144: 317-22 (2005)


BindingDB Entry DOI: 10.7270/Q2Z60RDV
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM384107
PNG
(US10280167, Example 36)
Show SMILES Nc1nc(nc2n(Cc3ccccc3)c(=O)[nH]c12)-n1cccn1
Show InChI InChI=1S/C15H13N7O/c16-12-11-13(20-14(19-12)22-8-4-7-17-22)21(15(23)18-11)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,23)(H2,16,19,20)
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n/an/an/an/a 47n/an/an/an/a



University of Nottingham



Assay Description
Activation of human TLR7 results in robust production of interferon by plasmacytoid dendritic cells present in human blood. The potential of compound...


Br J Pharmacol 144: 317-22 (2005)


BindingDB Entry DOI: 10.7270/Q2Z60RDV
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM384108
PNG
(US10280167, Example 53)
Show SMILES Cc1cn[nH]c1-c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C16H15N7O/c1-9-7-18-22-11(9)14-20-13(17)12-15(21-14)23(16(24)19-12)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,22)(H,19,24)(H2,17,20,21)
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n/an/an/an/a 760n/an/an/an/a



University of Nottingham



Assay Description
Activation of human TLR7 results in robust production of interferon by plasmacytoid dendritic cells present in human blood. The potential of compound...


Br J Pharmacol 144: 317-22 (2005)


BindingDB Entry DOI: 10.7270/Q2Z60RDV
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM384109
PNG
(US10280167, Example 54)
Show SMILES CN(C)CCOc1ccc(Cn2c3nc(nc(N)c3[nH]c2=O)-c2nc(c[nH]2)C2CC2)cn1
Show InChI InChI=1S/C21H25N9O2/c1-29(2)7-8-32-15-6-3-12(9-23-15)11-30-20-16(26-21(30)31)17(22)27-19(28-20)18-24-10-14(25-18)13-4-5-13/h3,6,9-10,13H,4-5,7-8,11H2,1-2H3,(H,24,25)(H,26,31)(H2,22,27,28)
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n/an/an/an/a 50n/an/an/an/a



University of Nottingham



Assay Description
Activation of human TLR7 results in robust production of interferon by plasmacytoid dendritic cells present in human blood. The potential of compound...


Br J Pharmacol 144: 317-22 (2005)


BindingDB Entry DOI: 10.7270/Q2Z60RDV
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM384110
PNG
(US10280167, Example 55)
Show SMILES Nc1nc(nc2n(Cc3cccc(c3)C(=O)N3CCCC3)c(=O)[nH]c12)-c1nnc[nH]1
Show InChI InChI=1S/C19H19N9O2/c20-14-13-17(25-16(24-14)15-21-10-22-26-15)28(19(30)23-13)9-11-4-3-5-12(8-11)18(29)27-6-1-2-7-27/h3-5,8,10H,1-2,6-7,9H2,(H,23,30)(H2,20,24,25)(H,21,22,26)
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n/an/an/an/a 1.27E+3n/an/an/an/a



University of Nottingham



Assay Description
Activation of human TLR7 results in robust production of interferon by plasmacytoid dendritic cells present in human blood. The potential of compound...


Br J Pharmacol 144: 317-22 (2005)


BindingDB Entry DOI: 10.7270/Q2Z60RDV
More data for this
Ligand-Target Pair
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