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Found 214 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl Transferase (GGTase-I)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50059858
PNG
((S)-2-((3Z,6E)-(2S,5S,8R)-8-Amino-2-benzyl-5-isopr...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)\C=C/[C@@H](\C=C\[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H36N2O3S2/c1-17(2)19(11-12-21(25)16-30)9-10-20(15-18-7-5-4-6-8-18)23(27)26-22(24(28)29)13-14-31-3/h4-12,17,19-22,30H,13-16,25H2,1-3H3,(H,26,27)(H,28,29)/b10-9-,12-11+/t19-,20+,21+,22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM13382
PNG
(3-(3-chlorophenyl)-4-{[(4-cyanophenyl)(1-methyl-1H...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H19ClN4O/c1-31-17-30-15-25(31)26(20-8-5-18(13-28)6-9-20)32-16-22-10-7-19(14-29)11-24(22)21-3-2-4-23(27)12-21/h2-12,15,17,26H,16H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Bioorg Med Chem Lett 14: 4603-6 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50040692
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C20H40N4O4S/c1-7-13(6)17(19(26)23-15(20(27)28)8-11(2)3)24-18(25)16(12(4)5)22-9-14(21)10-29/h11-17,22,29H,7-10,21H2,1-6H3,(H,23,26)(H,24,25)(H,27,28)/t13-,14+,15-,16-,17-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine type-1 geranylgeranyl transferase.


J Med Chem 37: 725-32 (1994)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50135353
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20ClN5O2/c1-31-16-30-14-23(31)25(18-8-6-17(12-28)7-9-18)34-15-24-22(19-4-3-5-21(27)10-19)11-20(13-29)26(33)32(24)2/h3-11,14,16,25H,15H2,1-2H3
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n/an/a 2.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Bioorg Med Chem Lett 14: 4603-6 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14014
PNG
((5S)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....)
Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13
Show InChI InChI=1S/C27H23N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-7,12-13,15,17,24,30H,8-11,16H2/t24-/m0/s1
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n/an/a 5.5n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
The enzymatic reaction between [3H]GGPP and a biotinylated peptide was carried out in the presence of 5 mM ATP and varying concentrations of inhibit...


J Med Chem 45: 2388-409 (2002)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031179
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C16H27N3OS/c1-4-12(3)15(18-9-13(17)10-21)16(20)19-14-7-5-6-11(2)8-14/h5-8,12-13,15,18,21H,4,9-10,17H2,1-3H3,(H,19,20)/t12?,13-,15+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031169
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H25Cl2N3OS/c1-3-10(2)15(20-8-12(19)9-23)16(22)21-7-11-5-4-6-13(17)14(11)18/h4-6,10,12,15,20,23H,3,7-9,19H2,1-2H3,(H,21,22)/t10?,12-,15+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031167
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)Nc1cccc(C)c1C
Show InChI InChI=1S/C17H29N3OS/c1-5-11(2)16(19-9-14(18)10-22)17(21)20-15-8-6-7-12(3)13(15)4/h6-8,11,14,16,19,22H,5,9-10,18H2,1-4H3,(H,20,21)/t11?,14-,16+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14713
PNG
(GGTI-DU40 | N-[(1S)-1-carbamoyl-2-phenylethyl]-4-{...)
Show SMILES CSCCc1c(OCCCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n(nc1-c1cccnc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H31Cl2N5O3S/c1-41-16-13-23-28(21-9-5-14-34-19-21)36-37(22-11-12-24(31)25(32)18-22)30(23)40-15-6-10-27(38)35-26(29(33)39)17-20-7-3-2-4-8-20/h2-5,7-9,11-12,14,18-19,26H,6,10,13,15-17H2,1H3,(H2,33,39)(H,35,38)/t26-/m0/s1
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n/an/a 8.24n/an/an/an/a7.730



Duke University Medical Center



Assay Description
Compounds were tested as inhibitors of FTase or GGTase-1 in vitro using purified recombinant mammalian enzymes to catalyze the reactions between [3H]...


J Biol Chem 281: 12445-50 (2006)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50369371
PNG
(CHEMBL1790750)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCO)C(O)=O)Cc1cccc2ccccc12)NC[C@@H](N)CS
Show InChI InChI=1S/C26H40N4O4S/c1-3-18(2)24(28-13-21(27)17-35)15-30(16-25(32)29-23(11-12-31)26(33)34)14-20-9-6-8-19-7-4-5-10-22(19)20/h4-10,18,21,23-24,28,31,35H,3,11-17,27H2,1-2H3,(H,29,32)(H,33,34)/t18-,21-,23+,24-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 41: 2651-6 (1998)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031170
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H25Cl2N3OS/c1-3-10(2)15(20-8-13(19)9-23)16(22)21-7-11-4-5-12(17)6-14(11)18/h4-6,10,13,15,20,23H,3,7-9,19H2,1-2H3,(H,21,22)/t10?,13-,15+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079803
PNG
((S)-2-{[(2S,4S)-1-((E)-(2S,5R)-5-Amino-2-isopropyl...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H37N3O5S2/c1-16(2)20(10-9-17(26)15-34)24(30)28-14-19(33-18-7-5-4-6-8-18)13-22(28)23(29)27-21(25(31)32)11-12-35-3/h4-10,16-17,19-22,34H,11-15,26H2,1-3H3,(H,27,29)(H,31,32)/b10-9+/t17-,19+,20-,21+,22+/m1/s1
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Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM13389
PNG
(4-{[(4-cyanophenyl)methoxy](1-methyl-1H-imidazol-5...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H22N4O/c1-34-20-33-18-29(34)30(35-19-22-11-9-21(16-31)10-12-22)24-13-14-25(17-32)28(15-24)27-8-4-6-23-5-2-3-7-26(23)27/h2-15,18,20,30H,19H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine Geranyl geranyl transeferase


Bioorg Med Chem Lett 15: 153-8 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM13389
PNG
(4-{[(4-cyanophenyl)methoxy](1-methyl-1H-imidazol-5...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H22N4O/c1-34-20-33-18-29(34)30(35-19-22-11-9-21(16-31)10-12-22)24-13-14-25(17-32)28(15-24)27-8-4-6-23-5-2-3-7-26(23)27/h2-15,18,20,30H,19H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP transfer to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine GGTase-I


Bioorg Med Chem Lett 13: 1571-4 (2003)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031168
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H28N4O3S2/c1-3-11(2)15(19-9-13(17)10-24)16(21)20-8-12-4-6-14(7-5-12)25(18,22)23/h4-7,11,13,15,19,24H,3,8-10,17H2,1-2H3,(H,20,21)(H2,18,22,23)/t11?,13-,15+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50040684
PNG
((S)-2-{(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C19H38N4O4S2/c1-6-12(4)16(18(25)22-14(19(26)27)7-8-29-5)23-17(24)15(11(2)3)21-9-13(20)10-28/h11-16,21,28H,6-10,20H2,1-5H3,(H,22,25)(H,23,24)(H,26,27)/t12-,13+,14-,15-,16-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine type-1 geranylgeranyl transferase.


J Med Chem 37: 725-32 (1994)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031178
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccc(C)cc1C
Show InChI InChI=1S/C18H31N3OS/c1-5-13(3)17(20-10-16(19)11-23)18(22)21-9-15-7-6-12(2)8-14(15)4/h6-8,13,16-17,20,23H,5,9-11,19H2,1-4H3,(H,21,22)/t13?,16-,17+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14016
PNG
((5S)-6-methyl-31-oxo-20-oxa-2,6,11,13-tetraazahexa...)
Show SMILES CN1CCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@H]1C5=O)c4c3)c2
Show InChI InChI=1S/C28H25N5O2/c1-31-11-9-22-16-30-18-32(22)17-19-5-6-21(15-29)27(13-19)35-23-8-7-20-3-2-4-25(24(20)14-23)33-12-10-26(31)28(33)34/h2-8,13-14,16,18,26H,9-12,17H2,1H3/t26-/m0/s1
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Merck Research Laboratories



Assay Description
The enzymatic reaction between [3H]GGPP and a biotinylated peptide was carried out in the presence of 5 mM ATP and varying concentrations of inhibit...


J Med Chem 45: 2388-409 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14015
PNG
((5R)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19....)
Show SMILES O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13
Show InChI InChI=1S/C27H23N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-7,12-13,15,17,24,30H,8-11,16H2/t24-/m1/s1
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Merck Research Laboratories



Assay Description
The enzymatic reaction between [3H]GGPP and a biotinylated peptide was carried out in the presence of 5 mM ATP and varying concentrations of inhibit...


J Med Chem 45: 2388-409 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14017
PNG
((5R)-6-methyl-31-oxo-20-oxa-2,6,11,13-tetraazahexa...)
Show SMILES CN1CCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@@H]1C5=O)c4c3)c2
Show InChI InChI=1S/C28H25N5O2/c1-31-11-9-22-16-30-18-32(22)17-19-5-6-21(15-29)27(13-19)35-23-8-7-20-3-2-4-25(24(20)14-23)33-12-10-26(31)28(33)34/h2-8,13-14,16,18,26H,9-12,17H2,1H3/t26-/m1/s1
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Merck Research Laboratories



Assay Description
The enzymatic reaction between [3H]GGPP and a biotinylated peptide was carried out in the presence of 5 mM ATP and varying concentrations of inhibit...


J Med Chem 45: 2388-409 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50403711
PNG
(CHEMBL2092855)
Show SMILES CSCC[C@@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N3O4S2/c1-30-11-9-18(21(26)27)23-20(25)19-12-17(28-16-7-3-2-4-8-16)13-24(19)10-5-6-15(22)14-29/h2-8,15,17-19,29H,9-14,22H2,1H3,(H,23,25)(H,26,27)/b6-5+/t15-,17+,18-,19+/m1/s1
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Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50369443
PNG
(CHEMBL252953)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C37H44N6O4S/c1-4-26(2)34(41-35(44)18-31-20-39-25-43(31)21-28-14-12-27(19-38)13-15-28)23-42(24-36(45)40-33(37(46)47)16-17-48-3)22-30-10-7-9-29-8-5-6-11-32(29)30/h5-15,20,25-26,33-34H,4,16-18,21-24H2,1-3H3,(H,40,45)(H,41,44)(H,46,47)/t26-,33+,34-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50157285
PNG
(5-[(3,4-Dichloro-benzyloxy)-(3-methyl-3H-imidazol-...)
Show SMILES Cn1cncc1C(OCc1ccc(Cl)c(Cl)c1)c1ccc(C#N)c(c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H18Cl2F3N3O/c1-34-15-33-13-24(34)25(35-14-16-6-9-22(27)23(28)10-16)17-7-8-18(12-32)20(11-17)19-4-2-3-5-21(19)26(29,30)31/h2-11,13,15,25H,14H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine Geranyl geranyl transeferase


Bioorg Med Chem Lett 15: 153-8 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50157237
PNG
(2'',3''-Dichloro-5-[(4-cyano-benzyloxy)-(3-methyl-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H18Cl2N4O/c1-32-16-31-14-24(32)26(33-15-18-7-5-17(12-29)6-8-18)19-9-10-20(13-30)22(11-19)21-3-2-4-23(27)25(21)28/h2-11,14,16,26H,15H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine Geranyl geranyl transeferase


Bioorg Med Chem Lett 15: 153-8 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031162
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H27N3OS/c1-3-12(2)15(18-10-14(17)11-21)16(20)19-9-13-7-5-4-6-8-13/h4-8,12,14-15,18,21H,3,9-11,17H2,1-2H3,(H,19,20)/t12?,14-,15+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50153805
PNG
(3'-chloro-6-(((1-((3'-chloro-5-cyanobiphenyl-2-yl)...)
Show SMILES Clc1cccc(c1)-c1cc(ccc1COCc1cncn1Cc1ccc(cc1-c1cccc(Cl)c1)C#N)C#N
Show InChI InChI=1S/C32H22Cl2N4O/c33-28-5-1-3-24(13-28)31-11-22(15-35)7-9-26(31)18-38-21-37-17-30(38)20-39-19-27-10-8-23(16-36)12-32(27)25-4-2-6-29(34)14-25/h1-14,17,21H,18-20H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyltransferase


Bioorg Med Chem Lett 14: 5371-6 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079809
PNG
((S)-2-{[(2S,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1cccc2CCCCc12)C(O)=O
Show InChI InChI=1S/C25H37N3O4S2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23/h4-5,7-8,10,18-19,21-22,33H,2-3,6,9,11-16,26H2,1H3,(H,27,29)(H,30,31)/b8-5+/t18-,19+,21+,22+/m1/s1
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Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079966
PNG
((S)-2-{2-[((S)-3-Methyl-2-{2-[3-(4-nitro-benzyl)-3...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C36H44N6O6S/c1-4-25(2)33(39-34(43)18-30-19-37-24-41(30)20-26-12-14-29(15-13-26)42(47)48)22-40(23-35(44)38-32(36(45)46)16-17-49-3)21-28-10-7-9-27-8-5-6-11-31(27)28/h5-15,19,24-25,32-33H,4,16-18,20-23H2,1-3H3,(H,38,44)(H,39,43)(H,45,46)/t25?,32-,33+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14012
PNG
((5S)-7,31-dioxo-20-oxa-2,6,11,13-tetraazahexacyclo...)
Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC(=O)N2)ccc4C#N)cc13
Show InChI InChI=1S/C27H21N5O3/c28-13-19-5-4-17-10-25(19)35-21-7-6-18-2-1-3-24(22(18)12-21)32-9-8-23(27(32)34)30-26(33)11-20-14-29-16-31(20)15-17/h1-7,10,12,14,16,23H,8-9,11,15H2,(H,30,33)/t23-/m0/s1
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Merck Research Laboratories



Assay Description
The enzymatic reaction between [3H]GGPP and a biotinylated peptide was carried out in the presence of 5 mM ATP and varying concentrations of inhibit...


J Med Chem 45: 2388-409 (2002)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079813
PNG
(2-[1-[5-amino-6-sulfanyl-(5R)-hexanoyl]-4-phenoxy-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)CCC[C@@H](N)CS)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H33N3O5S2/c1-32-11-10-18(22(28)29)24-21(27)19-12-17(30-16-7-3-2-4-8-16)13-25(19)20(26)9-5-6-15(23)14-31/h2-4,7-8,15,17-19,31H,5-6,9-14,23H2,1H3,(H,24,27)(H,28,29)/t15-,17+,18+,19+/m1/s1
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Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031163
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCCC(C)C
Show InChI InChI=1S/C14H31N3OS/c1-5-11(4)13(17-8-12(15)9-19)14(18)16-7-6-10(2)3/h10-13,17,19H,5-9,15H2,1-4H3,(H,16,18)/t11?,12-,13+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079794
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-t...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C22H30F3N3O4S2/c1-34-10-8-18(21(30)31)27-20(29)19-11-17(12-28(19)9-2-3-15(26)13-33)32-16-6-4-14(5-7-16)22(23,24)25/h2-7,15,17-19,33H,8-13,26H2,1H3,(H,27,29)(H,30,31)/b3-2+/t15-,17+,18+,19+/m1/s1
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Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM14453
PNG
(1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}met...)
Show SMILES N#Cc1ccc(Cn2cncc2Cn2ccc3c(C#N)c(ccc23)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C31H21N5/c32-16-22-8-10-23(11-9-22)19-36-21-34-18-25(36)20-35-15-14-29-30(17-33)28(12-13-31(29)35)27-7-3-5-24-4-1-2-6-26(24)27/h1-15,18,21H,19-20H2
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Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting GGTase-1 was determined by measuring the transfer of [3H]-geranylgeranylpyrophosphate to substrate Ha-R...


Bioorg Med Chem Lett 15: 2033-9 (2005)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50157253
PNG
(5-[(4-Fluoro-3-trifluoromethyl-benzyloxy)-(3-methy...)
Show SMILES Cn1cncc1C(OCc1ccc(F)c(c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H18F7N3O/c1-37-15-36-13-24(37)25(38-14-16-6-9-23(28)22(10-16)27(32,33)34)17-7-8-18(12-35)20(11-17)19-4-2-3-5-21(19)26(29,30)31/h2-11,13,15,25H,14H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine Geranyl geranyl transeferase


Bioorg Med Chem Lett 15: 153-8 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50157249
PNG
(5-[(4-Cyano-benzyloxy)-(3-methyl-3H-imidazol-4-yl)...)
Show SMILES Cc1cccc(c1C)-c1cc(ccc1C#N)C(OCc1ccc(cc1)C#N)c1cncn1C
Show InChI InChI=1S/C28H24N4O/c1-19-5-4-6-25(20(19)2)26-13-23(11-12-24(26)15-30)28(27-16-31-18-32(27)3)33-17-22-9-7-21(14-29)8-10-22/h4-13,16,18,28H,17H2,1-3H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine Geranyl geranyl transeferase


Bioorg Med Chem Lett 15: 153-8 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM14450
PNG
(1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}met...)
Show SMILES N#Cc1cn(Cc2cncn2Cc2ccc(cc2)C#N)cc1-c1cccc2ccccc12
Show InChI InChI=1S/C27H19N5/c28-12-20-8-10-21(11-9-20)15-32-19-30-14-24(32)17-31-16-23(13-29)27(18-31)26-7-3-5-22-4-1-2-6-25(22)26/h1-11,14,16,18-19H,15,17H2
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Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting GGTase-1 was determined by measuring the transfer of [3H]-geranylgeranylpyrophosphate to substrate Ha-R...


Bioorg Med Chem Lett 15: 2033-9 (2005)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50126339
PNG
(4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMIDAZOL-4-YLMETH...)
Show SMILES Cn1cncc1CN(Cc1cccc(c1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H23N5/c1-34-21-33-18-27(34)20-35(19-23-7-4-6-22(14-23)16-31)26-13-12-25(17-32)30(15-26)29-11-5-9-24-8-2-3-10-28(24)29/h2-15,18,21H,19-20H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyltransferase.


Bioorg Med Chem Lett 13: 1367-71 (2003)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079810
PNG
(2-[1-[5-amino-2-isopropyl-6-sulfanyl-(2S,3E,5R)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H39N3O4S2/c1-17(2)18(9-10-19(26)16-33)14-28-15-21(32-20-7-5-4-6-8-20)13-23(28)24(29)27-22(25(30)31)11-12-34-3/h4-10,17-19,21-23,33H,11-16,26H2,1-3H3,(H,27,29)(H,30,31)/b10-9+/t18-,19+,21-,22-,23-/m0/s1
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Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14013
PNG
((5R)-7,31-dioxo-20-oxa-2,6,11,13-tetraazahexacyclo...)
Show SMILES O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC(=O)N2)ccc4C#N)cc13
Show InChI InChI=1S/C27H21N5O3/c28-13-19-5-4-17-10-25(19)35-21-7-6-18-2-1-3-24(22(18)12-21)32-9-8-23(27(32)34)30-26(33)11-20-14-29-16-31(20)15-17/h1-7,10,12,14,16,23H,8-9,11,15H2,(H,30,33)/t23-/m1/s1
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Merck Research Laboratories



Assay Description
The enzymatic reaction between [3H]GGPP and a biotinylated peptide was carried out in the presence of 5 mM ATP and varying concentrations of inhibit...


J Med Chem 45: 2388-409 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50157252
PNG
(5-[(3-Fluoro-4-trifluoromethyl-benzyloxy)-(3-methy...)
Show SMILES Cn1cncc1C(OCc1ccc(c(F)c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H18F7N3O/c1-37-15-36-13-24(37)25(38-14-16-6-9-22(23(28)10-16)27(32,33)34)17-7-8-18(12-35)20(11-17)19-4-2-3-5-21(19)26(29,30)31/h2-11,13,15,25H,14H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine Geranyl geranyl transeferase


Bioorg Med Chem Lett 15: 153-8 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50051826
PNG
(CHEMBL27486 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H31N3OS/c1-2-3-9-19-15-25(13-12-24(19)14-18(23)16-27)22(26)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,27H,2-3,9,12-16,23H2,1H3/t18-,19+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 39: 1345-8 (1996)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079806
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(2-p...)
Show SMILES CCCc1ccccc1O[C@H]1C[C@H](N(C\C=C\[C@@H](N)CS)C1)C(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C24H37N3O4S2/c1-3-7-17-8-4-5-10-22(17)31-19-14-21(27(15-19)12-6-9-18(25)16-32)23(28)26-20(24(29)30)11-13-33-2/h4-6,8-10,18-21,32H,3,7,11-16,25H2,1-2H3,(H,26,28)(H,29,30)/b9-6+/t18-,19+,20+,21+/m1/s1
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Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079792
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-b...)
Show SMILES CCCCc1ccc(O[C@H]2C[C@H](N(C\C=C\[C@@H](N)CS)C2)C(=O)N[C@@H](CCSC)C(O)=O)cc1
Show InChI InChI=1S/C25H39N3O4S2/c1-3-4-6-18-8-10-20(11-9-18)32-21-15-23(28(16-21)13-5-7-19(26)17-33)24(29)27-22(25(30)31)12-14-34-2/h5,7-11,19,21-23,33H,3-4,6,12-17,26H2,1-2H3,(H,27,29)(H,30,31)/b7-5+/t19-,21+,22+,23+/m1/s1
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Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50126333
PNG
(4-[Cyclohexyl-(3-methyl-3H-imidazol-4-ylmethyl)-am...)
Show SMILES Cn1cncc1CN(C1CCCCC1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C28H28N4/c1-31-20-30-18-25(31)19-32(23-10-3-2-4-11-23)24-15-14-22(17-29)28(16-24)27-13-7-9-21-8-5-6-12-26(21)27/h5-9,12-16,18,20,23H,2-4,10-11,19H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyltransferase.


Bioorg Med Chem Lett 13: 1367-71 (2003)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50157248
PNG
(5-[(4-Cyano-benzyloxy)-(3-methyl-3H-imidazol-4-yl)...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(OCc1ccc(cc1)C#N)c1cncn1C
Show InChI InChI=1S/C27H22N4O/c1-19-5-3-4-6-24(19)25-13-22(11-12-23(25)15-29)27(26-16-30-18-31(26)2)32-17-21-9-7-20(14-28)8-10-21/h3-13,16,18,27H,17H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Bovine Geranyl geranyl transeferase


Bioorg Med Chem Lett 15: 153-8 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079798
PNG
((S)-2-{[(2S,4S)-1-((E)-(R)-4-Amino-5-mercapto-pent...)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1CC=CC(N)CS)Oc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C25H33N3O4S2.2C2HF3O2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23;2*3-2(4,5)1(6)7/h2-10,18-19,21-22,33H,11-16,26H2,1H3,(H,27,29)(H,30,31);2*(H,6,7)/t18?,19-,21-,22-;;/m0../s1
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Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079811
PNG
(2-[1-[4-amino-5-sulfanyl-(E,4R)-2-pentenyl]-4-(4-i...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\[C@@H](N)CS)Oc1ccc(cc1)C(C)C)C(O)=O
Show InChI InChI=1S/C24H37N3O4S2/c1-16(2)17-6-8-19(9-7-17)31-20-13-22(27(14-20)11-4-5-18(25)15-32)23(28)26-21(24(29)30)10-12-33-3/h4-9,16,18,20-22,32H,10-15,25H2,1-3H3,(H,26,28)(H,29,30)/b5-4+/t18-,20+,21+,22+/m1/s1
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Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50153774
PNG
(4-(((1-(4-cyanobenzyl)-1H-imidazol-5-yl)methylamin...)
Show SMILES N#Cc1ccc(Cn2cncc2CNCc2ccc(C#N)c(c2)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H23N5/c31-15-22-8-10-23(11-9-22)20-35-21-34-19-27(35)18-33-17-24-12-13-26(16-32)30(14-24)29-7-3-5-25-4-1-2-6-28(25)29/h1-14,19,21,33H,17-18,20H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyltransferase


Bioorg Med Chem Lett 14: 5371-6 (2004)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50126340
PNG
(4-[(3-Cyano-benzyl)-(3-methyl-3H-imidazol-4-ylmeth...)
Show SMILES Cn1cncc1CN(Cc1cccc(Cl)c1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C29H23ClN4/c1-33-20-32-17-26(33)19-34(18-21-6-4-9-24(30)14-21)25-13-12-23(16-31)29(15-25)28-11-5-8-22-7-2-3-10-27(22)28/h2-15,17,20H,18-19H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyltransferase.


Bioorg Med Chem Lett 13: 1367-71 (2003)

More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50153785
PNG
(4-((1-(4-cyanobenzyl)-1H-imidazol-5-yl)methoxy)-2-...)
Show SMILES N#Cc1ccc(Cn2cncc2COc2ccc(C#N)c(c2)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C29H20N4O/c30-15-21-8-10-22(11-9-21)18-33-20-32-17-25(33)19-34-26-13-12-24(16-31)29(14-26)28-7-3-5-23-4-1-2-6-27(23)28/h1-14,17,20H,18-19H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyltransferase


Bioorg Med Chem Lett 14: 5371-6 (2004)

More data for this
Ligand-Target Pair
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