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Compile Data Set for Download or QSAR

Found 752 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl transferase type I' AND taxid = 9606   
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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50143597
PNG
((S)-2-(2-[2-(4-Fluoro-phenyl)-ethyl]-5-{[(1S,4S)-4...)
Show SMILES CSCC[C@H](NC(=O)c1cc(NC[C@@H]2C[C@@H](CN2)SC(=O)c2cccnc2)ccc1CCc1ccc(F)cc1)C(=O)OC(C)C
Show InChI InChI=1S/C34H41FN4O4S2/c1-22(2)43-33(41)31(14-16-44-3)39-32(40)30-18-27(13-10-24(30)9-6-23-7-11-26(35)12-8-23)37-20-28-17-29(21-38-28)45-34(42)25-5-4-15-36-19-25/h4-5,7-8,10-13,15,18-19,22,28-29,31,37-38H,6,9,14,16-17,20-21H2,1-3H3,(H,39,40)/t28-,29-,31-/m0/s1
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8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition binding constant against Geranylgeranyl transferase type I


J Med Chem 47: 1869-78 (2004)


Article DOI: 10.1021/jm0305467
BindingDB Entry DOI: 10.7270/Q2RX9CVX
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115916
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES FC(F)(F)Oc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)36-23-4-2-1-3-21(23)17-35-24(34)32-11-9-31(10-12-32)16-22-14-30-18-33(22)15-20-7-5-19(13-29)6-8-20/h1-8,14,18H,9-12,15-17H2
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n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13390
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES COCc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H24N4O2/c1-32-19-31-16-27(32)28(23-9-6-20(14-29)7-10-23)34-18-25-11-8-21(15-30)13-26(25)24-5-3-4-22(12-24)17-33-2/h3-13,16,19,28H,17-18H2,1-2H3
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n/an/a 0.190n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50098037
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C27H34N6O/c28-15-20-1-3-21(4-2-20)17-33-19-29-16-25(33)18-31-5-7-32(8-6-31)26(34)30-27-12-22-9-23(13-27)11-24(10-22)14-27/h1-4,16,19,22-24H,5-14,17-18H2,(H,30,34)
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Geranylgeranyl transferase type I


Bioorg Med Chem Lett 11: 865-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00061-0
BindingDB Entry DOI: 10.7270/Q2F47PPX
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
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 0.300n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115919
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES COCc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H29N5O3/c1-33-18-23-4-2-3-5-24(23)19-34-26(32)30-12-10-29(11-13-30)17-25-15-28-20-31(25)16-22-8-6-21(14-27)7-9-22/h2-9,15,20H,10-13,16-19H2,1H3
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n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115911
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES CCOc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H29N5O3/c1-2-33-25-6-4-3-5-23(25)19-34-26(32)30-13-11-29(12-14-30)18-24-16-28-20-31(24)17-22-9-7-21(15-27)8-10-22/h3-10,16,20H,2,11-14,17-19H2,1H3
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n/an/a 0.320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13384
PNG
(4-{[(R)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)...)
Show SMILES COc1cccc(c1)-c1cc(ccc1CO[C@@H](c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O2/c1-31-18-30-16-26(31)27(21-9-6-19(14-28)7-10-21)33-17-23-11-8-20(15-29)12-25(23)22-4-3-5-24(13-22)32-2/h3-13,16,18,27H,17H2,1-2H3/t27-/m1/s1
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n/an/a 0.350n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13405
PNG
(3-(3-chlorophenyl)-4-{[(4-cyano-3-fluorophenyl)(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C26H18ClFN4O/c1-32-16-31-14-25(32)26(19-7-8-20(13-30)24(28)11-19)33-15-21-6-5-17(12-29)9-23(21)18-3-2-4-22(27)10-18/h2-11,14,16,26H,15H2,1H3
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n/an/a 0.440n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13415
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1NCc1cc(F)cc(F)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H21F2N5O/c1-34-17-32-15-26(34)27(21-5-2-18(12-30)3-6-21)35-16-22-7-4-19(13-31)10-25(22)33-14-20-8-23(28)11-24(29)9-20/h2-11,15,17,27,33H,14,16H2,1H3
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n/an/a 0.610n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115914
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES Clc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C24H24ClN5O2/c25-23-4-2-1-3-21(23)17-32-24(31)29-11-9-28(10-12-29)16-22-14-27-18-30(22)15-20-7-5-19(13-26)6-8-20/h1-8,14,18H,9-12,15-17H2
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n/an/a 0.680n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of geranyl-geranylation of C-terminal CAAX sequence of Rap 1a in PSN-1 cells


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13388
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES CCOc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H24N4O2/c1-3-33-25-6-4-5-23(14-25)26-13-21(16-30)9-12-24(26)18-34-28(27-17-31-19-32(27)2)22-10-7-20(15-29)8-11-22/h4-14,17,19,28H,3,18H2,1-2H3
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n/an/a 0.690n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13383
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O2/c1-31-18-30-16-26(31)27(21-9-6-19(14-28)7-10-21)33-17-23-11-8-20(15-29)12-25(23)22-4-3-5-24(13-22)32-2/h3-13,16,18,27H,17H2,1-2H3
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n/an/a 0.75n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13418
PNG
(A313326 Analogue 65 | N-(3-chlorophenyl)-5-cyano-2...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1C(=O)Nc1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20ClN5O2/c1-33-17-31-15-25(33)26(20-8-5-18(13-29)6-9-20)35-16-21-10-7-19(14-30)11-24(21)27(34)32-23-4-2-3-22(28)12-23/h2-12,15,17,26H,16H2,1H3,(H,32,34)
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n/an/a 0.75n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13406
PNG
(3-(3-chlorophenyl)-4-{[(4-cyano-2-fluorophenyl)(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H18ClFN4O/c1-32-16-31-14-25(32)26(22-8-6-18(13-30)10-24(22)28)33-15-20-7-5-17(12-29)9-23(20)19-3-2-4-21(27)11-19/h2-11,14,16,26H,15H2,1H3
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n/an/a 0.770n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13375
PNG
(4-({[4-chloro-2-(3-chlorophenyl)phenyl]methoxy}(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H19Cl2N3O/c1-30-16-29-14-24(30)25(18-7-5-17(13-28)6-8-18)31-15-20-9-10-22(27)12-23(20)19-3-2-4-21(26)11-19/h2-12,14,16,25H,15H2,1H3
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n/an/a 0.800n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130374
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@](CCC2CC2)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C31H37N5O2/c1-30(33,28-20-34-21-36(28)3)24-12-11-23(19-32)27(18-24)38-26-8-6-7-25(17-26)31(15-13-22-9-10-22)14-4-5-16-35(2)29(31)37/h6-8,11-12,17-18,20-22H,4-5,9-10,13-16,33H2,1-3H3/t30-,31+/m0/s1
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n/an/a 0.810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50115925
PNG
(4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...)
Show SMILES COc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H27N5O3/c1-32-24-5-3-2-4-22(24)18-33-25(31)29-12-10-28(11-13-29)17-23-15-27-19-30(23)16-21-8-6-20(14-26)7-9-21/h2-9,15,19H,10-13,16-18H2,1H3
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n/an/a 0.840n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP


Bioorg Med Chem Lett 12: 2027-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00308-6
BindingDB Entry DOI: 10.7270/Q2TQ60VS
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13393
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc(OC(F)(F)F)cc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H19F3N4O2/c1-34-17-33-15-25(34)26(21-5-2-18(13-31)3-6-21)35-16-22-7-4-19(14-32)12-24(22)20-8-10-23(11-9-20)36-27(28,29)30/h2-12,15,17,26H,16H2,1H3
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n/an/a 0.840n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13386
PNG
(3-(2H-1,3-benzodioxol-5-yl)-4-{[(4-cyanophenyl)(1-...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H20N4O3/c1-31-16-30-14-24(31)27(20-5-2-18(12-28)3-6-20)32-15-22-7-4-19(13-29)10-23(22)21-8-9-25-26(11-21)34-17-33-25/h2-11,14,16,27H,15,17H2,1H3
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n/an/a 0.870n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
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 0.870n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13412
PNG
(A313326 Analogue 60a | N-(5-cyano-2-{[(4-cyanophen...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1NS(=O)(=O)c1cccs1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H19N5O3S2/c1-29-16-27-14-22(29)24(19-7-4-17(12-25)5-8-19)32-15-20-9-6-18(13-26)11-21(20)28-34(30,31)23-3-2-10-33-23/h2-11,14,16,24,28H,15H2,1H3
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n/an/a 0.880n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13377
PNG
(4-({[4-chloro-2-(3-methoxyphenyl)phenyl]methoxy}(1...)
Show SMILES COc1cccc(c1)-c1cc(Cl)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H22ClN3O2/c1-30-17-29-15-25(30)26(19-8-6-18(14-28)7-9-19)32-16-21-10-11-22(27)13-24(21)20-4-3-5-23(12-20)31-2/h3-13,15,17,26H,16H2,1-2H3
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n/an/a 0.910n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13380
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc2ccccc12)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H22N4O/c1-34-20-33-18-29(34)30(24-12-9-21(16-31)10-13-24)35-19-25-14-11-22(17-32)15-28(25)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 0.940n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13391
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES COc1ccc(cc1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O2/c1-31-18-30-16-26(31)27(22-6-3-19(14-28)4-7-22)33-17-23-8-5-20(15-29)13-25(23)21-9-11-24(32-2)12-10-21/h3-13,16,18,27H,17H2,1-2H3
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n/an/a 0.960n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13404
PNG
(4-{[(3-chloro-4-cyanophenyl)(1-methyl-1H-imidazol-...)
Show SMILES COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(C#N)c(Cl)c1)C#N
Show InChI InChI=1S/C27H21ClN4O2/c1-32-17-31-15-26(32)27(20-8-9-21(14-30)25(28)12-20)34-16-22-7-6-18(13-29)10-24(22)19-4-3-5-23(11-19)33-2/h3-12,15,17,27H,16H2,1-2H3
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n/an/a 0.970n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13395
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cc(F)cc(F)c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H18F2N4O/c1-32-16-31-14-25(32)26(19-5-2-17(12-29)3-6-19)33-15-20-7-4-18(13-30)8-24(20)21-9-22(27)11-23(28)10-21/h2-11,14,16,26H,15H2,1H3
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n/an/a 0.980n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13413
PNG
(A313326 Analogue 60b)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H23N5O3S/c1-19-3-11-24(12-4-19)36(33,34)31-25-13-21(15-29)7-10-23(25)17-35-27(26-16-30-18-32(26)2)22-8-5-20(14-28)6-9-22/h3-13,16,18,27,31H,17H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13394
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cc1ccc(cc1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C27H22N4O/c1-19-3-8-22(9-4-19)25-13-21(15-29)7-12-24(25)17-32-27(26-16-30-18-31(26)2)23-10-5-20(14-28)6-11-23/h3-13,16,18,27H,17H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13407
PNG
(3-(3-chlorophenyl)-4-{[(1-methyl-1H-imidazol-5-yl)...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H19ClF3N3O/c1-33-16-32-14-24(33)25(18-7-9-21(10-8-18)26(28,29)30)34-15-20-6-5-17(13-31)11-23(20)19-3-2-4-22(27)12-19/h2-12,14,16,25H,15H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13396
PNG
(4-({[2-(3-methoxyphenyl)-4-nitrophenyl]methoxy}(1-...)
Show SMILES COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)[N+]([O-])=O
Show InChI InChI=1S/C26H22N4O4/c1-29-17-28-15-25(29)26(19-8-6-18(14-27)7-9-19)34-16-21-10-11-22(30(31)32)13-24(21)20-4-3-5-23(12-20)33-2/h3-13,15,17,26H,16H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13387
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccc2OC(F)(F)Oc2c1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H18F2N4O3/c1-33-16-32-14-23(33)26(19-5-2-17(12-30)3-6-19)34-15-21-7-4-18(13-31)10-22(21)20-8-9-24-25(11-20)36-27(28,29)35-24/h2-11,14,16,26H,15H2,1H3
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n/an/a 1.10n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13378
PNG
(4-({[4-chloro-2-(3-ethoxyphenyl)phenyl]methoxy}(1-...)
Show SMILES CCOc1cccc(c1)-c1cc(Cl)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H24ClN3O2/c1-3-32-24-6-4-5-21(13-24)25-14-23(28)12-11-22(25)17-33-27(26-16-30-18-31(26)2)20-9-7-19(15-29)8-10-20/h4-14,16,18,27H,3,17H2,1-2H3
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Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13392
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES CCOc1ccc(cc1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C28H24N4O2/c1-3-33-25-12-10-22(11-13-25)26-14-21(16-30)6-9-24(26)18-34-28(27-17-31-19-32(27)2)23-7-4-20(15-29)5-8-23/h4-14,17,19,28H,3,18H2,1-2H3
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Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13379
PNG
(4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)meth...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1-c1ccccc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20N4O/c1-30-18-29-16-25(30)26(22-10-7-19(14-27)8-11-22)31-17-23-12-9-20(15-28)13-24(23)21-5-3-2-4-6-21/h2-13,16,18,26H,17H2,1H3
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n/an/a 1.30n/an/an/an/a7.037



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50048966
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O4S/c1-4-5-10-19(24(31)32)27-22(29)20-11-16-8-6-7-9-17(16)13-28(20)23(30)21(15(2)3)26-12-18(25)14-33/h6-9,15,18-21,26,33H,4-5,10-14,25H2,1-3H3,(H,27,29)(H,31,32)/t18-,19-,20+,21+/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130373
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CCCC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C30H37N5O2/c1-5-6-14-30(15-7-8-16-34(3)28(30)36)24-10-9-11-25(17-24)37-26-18-23(13-12-22(26)19-31)29(2,32)27-20-33-21-35(27)4/h9-13,17-18,20-21H,5-8,14-16,32H2,1-4H3/t29-,30-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13409
PNG
(3-(2H-1,3-benzodioxol-5-yl)-4-{[(4-cyanophenyl)(1,...)
Show SMILES Cc1ncc(C(OCc2ccc(cc2-c2ccc3OCOc3c2)C#N)c2ccc(cc2)C#N)n1C
Show InChI InChI=1S/C28H22N4O3/c1-18-31-15-25(32(18)2)28(21-6-3-19(13-29)4-7-21)33-16-23-8-5-20(14-30)11-24(23)22-9-10-26-27(12-22)35-17-34-26/h3-12,15,28H,16-17H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13402
PNG
(4-({[4-formyl-2-(3-methoxyphenyl)phenyl]methoxy}(1...)
Show SMILES COc1cccc(c1)-c1cc(C=O)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H23N3O3/c1-30-18-29-15-26(30)27(21-9-6-19(14-28)7-10-21)33-17-23-11-8-20(16-31)12-25(23)22-4-3-5-24(13-22)32-2/h3-13,15-16,18,27H,17H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50139187
PNG
(4-(2-cyclohexylethyl)-23-oxo-8-oxa-1,15,17,21-tetr...)
Show SMILES O=C1CN2CCN1Cc1cc(Oc3cc(Cn4cncc4C2)ccc3C#N)ccc1CCC1CCCCC1
Show InChI InChI=1S/C31H35N5O2/c32-16-26-9-7-24-14-30(26)38-29-11-10-25(8-6-23-4-2-1-3-5-23)27(15-29)19-35-13-12-34(21-31(35)37)20-28-17-33-22-36(28)18-24/h7,9-11,14-15,17,22-23H,1-6,8,12-13,18-21H2
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Geranylgeranyl transferase type I incorporation of [3H]-GGPP into biotinylated peptide corresponding to the C-terminus of human K...


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13403
PNG
(4-{[(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)met...)
Show SMILES COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C26H22ClN3O2/c1-30-17-29-15-25(30)26(19-8-10-22(27)11-9-19)32-16-21-7-6-18(14-28)12-24(21)20-4-3-5-23(13-20)31-2/h3-13,15,17,26H,16H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13408
PNG
(3-(3-chlorophenyl)-4-{[(4-cyanophenyl)(1,2-dimethy...)
Show SMILES Cc1ncc(C(OCc2ccc(cc2-c2cccc(Cl)c2)C#N)c2ccc(cc2)C#N)n1C
Show InChI InChI=1S/C27H21ClN4O/c1-18-31-16-26(32(18)2)27(21-9-6-19(14-29)7-10-21)33-17-23-11-8-20(15-30)12-25(23)22-4-3-5-24(28)13-22/h3-13,16,27H,17H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50139188
PNG
(4-(3,3-dimethylbutyl)-23-oxo-8-oxa-1,15,17,21-tetr...)
Show SMILES CC(C)(C)CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N
Show InChI InChI=1S/C29H33N5O2/c1-29(2,3)9-8-22-6-7-26-13-24(22)17-33-11-10-32(19-28(33)35)18-25-15-31-20-34(25)16-21-4-5-23(14-30)27(12-21)36-26/h4-7,12-13,15,20H,8-11,16-19H2,1-3H3
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Geranylgeranyl transferase type I incorporation of [3H]-GGPP into biotinylated peptide corresponding to the C-terminus of human K...


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130372
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@](CC2CC2)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C30H35N5O2/c1-29(32,27-19-33-20-35(27)3)23-12-11-22(18-31)26(16-23)37-25-8-6-7-24(15-25)30(17-21-9-10-21)13-4-5-14-34(2)28(30)36/h6-8,11-12,15-16,19-21H,4-5,9-10,13-14,17,32H2,1-3H3/t29-,30+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13417
PNG
(5-cyano-2-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1C(=O)Nc1ccccc1)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H21N5O2/c1-32-18-30-16-25(32)26(21-10-7-19(14-28)8-11-21)34-17-22-12-9-20(15-29)13-24(22)27(33)31-23-5-3-2-4-6-23/h2-13,16,18,26H,17H2,1H3,(H,31,33)
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n/an/a 2.20n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50139184
PNG
(4-(2-cyclohexyl-1-ethynyl)-23-oxo-8-oxa-1,15,17,21...)
Show SMILES O=C1CN2CCN1Cc1cc(Oc3cc(Cn4cncc4C2)ccc3C#N)ccc1C#CC1CCCCC1
Show InChI InChI=1S/C31H31N5O2/c32-16-26-9-7-24-14-30(26)38-29-11-10-25(8-6-23-4-2-1-3-5-23)27(15-29)19-35-13-12-34(21-31(35)37)20-28-17-33-22-36(28)18-24/h7,9-11,14-15,17,22-23H,1-5,12-13,18-21H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Geranylgeranyl transferase type I incorporation of [3H]-GGPP into biotinylated peptide corresponding to the C-terminus of human K...


Bioorg Med Chem Lett 14: 639-43 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.051
BindingDB Entry DOI: 10.7270/Q2WM1CTK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130365
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CN1CCCC[C@@](CCC(F)(F)F)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O
Show InChI InChI=1S/C29H32F3N5O2/c1-27(34,25-18-35-19-37(25)3)21-10-9-20(17-33)24(16-21)39-23-8-6-7-22(15-23)28(12-13-29(30,31)32)11-4-5-14-36(2)26(28)38/h6-10,15-16,18-19H,4-5,11-14,34H2,1-3H3/t27-,28+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Protein farnesyl/geranylgeranyl transferase


(Homo sapiens (human))
BDBM13414
PNG
(A313326 Analogue 60c | N-(5-cyano-2-{[(4-cyanophen...)
Show SMILES Cn1cncc1C(OCc1ccc(cc1NS(=O)(=O)c1cccc2ccccc12)C#N)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H23N5O3S/c1-35-20-33-18-28(35)30(24-12-9-21(16-31)10-13-24)38-19-25-14-11-22(17-32)15-27(25)34-39(36,37)29-8-4-6-23-5-2-3-7-26(23)29/h2-15,18,20,30,34H,19H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories



Assay Description
The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays we...


J Med Chem 47: 612-26 (2004)


Article DOI: 10.1021/jm030434f
BindingDB Entry DOI: 10.7270/Q2Z60M8D
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50130378
PNG
(4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...)
Show SMILES CCC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1
Show InChI InChI=1S/C29H35N5O2/c1-5-13-29(14-6-7-15-33(3)27(29)35)23-9-8-10-24(16-23)36-25-17-22(12-11-21(25)18-30)28(2,31)26-19-32-20-34(26)4/h8-12,16-17,19-20H,5-7,13-15,31H2,1-4H3/t28-,29-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I


(Homo sapiens)
BDBM50126030
PNG
(4-[1-Hydroxy-1-(3-methyl-3H-imidazol-4-yl)-3-pheny...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccccc1)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C30H21N3O/c1-33-21-32-20-29(33)30(34,17-16-22-8-3-2-4-9-22)25-15-14-24(19-31)28(18-25)27-13-7-11-23-10-5-6-12-26(23)27/h2-15,18,20-21,34H,1H3
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00122-7
BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
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