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PubMed code 12036349

Compile data set for download or QSAR
Found 58 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14018
PNG
((17R, 20R)-19,20,21,22-Tetrahydro-19-oxo-17H-15,-1...)
Show SMILES O=C1[C@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O2/c26-11-18-2-1-16-9-24(18)32-20-5-3-17-4-6-23(21(17)10-20)30-8-7-22(25(30)31)28-13-19-12-27-15-29(19)14-16/h1-3,5,9-10,12,15,22-23,28H,4,6-8,13-14H2/t22-,23-/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14023
PNG
((1R,2R,5R)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)
Show SMILES O=C1[C@H]2CCN1[C@@H]1CCCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H25N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h4-7,10-11,13,16,23-24,29H,1-3,8-9,14-15H2/t23-,24-/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14025
PNG
((1R,2R,5R)-30-oxo-19,24-dioxa-2,6,10,12-tetraazahe...)
Show SMILES O=C1[C@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O3/c26-11-17-2-1-16-9-24(17)33-19-3-4-23-20(10-19)22(6-8-32-23)30-7-5-21(25(30)31)28-13-18-12-27-15-29(18)14-16/h1-4,9-10,12,15,21-22,28H,5-8,13-14H2/t21-,22-/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(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
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14008
PNG
((11R)-32-oxo-25-oxa-8,12,16,18-tetraazahexacyclo[2...)
Show SMILES O=C1[C@H]2CCN1c1ccccc1-c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C28H23N5O2/c29-14-21-9-8-19-12-27(21)35-23-5-3-4-20(13-23)24-6-1-2-7-26(24)33-11-10-25(28(33)34)31-16-22-15-30-18-32(22)17-19/h1-9,12-13,15,18,25,31H,10-11,16-17H2/t25-/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14022
PNG
((1R,2R,5R)-6-methyl-29-oxo-19-oxa-2,6,10,12-tetraa...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4CC[C@@H](N5CC[C@@H]1C5=O)c4c3)c2
Show InChI InChI=1S/C26H25N5O2/c1-29-15-20-13-28-16-30(20)14-17-2-3-19(12-27)25(10-17)33-21-6-4-18-5-7-23(22(18)11-21)31-9-8-24(29)26(31)32/h2-4,6,10-11,13,16,23-24H,5,7-9,14-15H2,1H3/t23-,24-/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14007
PNG
((6R)-24-bromo-27-oxo-20-oxa-3,7,11,13-tetraazapent...)
Show SMILES Brc1ccc2Oc3cc(Cn4cncc4CN[C@@H]4CCN(Cc1c2)C4=O)ccc3C#N
Show InChI InChI=1S/C23H20BrN5O2/c24-20-4-3-19-8-17(20)13-28-6-5-21(23(28)30)27-11-18-10-26-14-29(18)12-15-1-2-16(9-25)22(7-15)31-19/h1-4,7-8,10,14,21,27H,5-6,11-13H2/t21-/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14024
PNG
((1R,2R,5S)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)
Show SMILES O=C1[C@@H]2CCN1[C@@H]1CCCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H25N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h4-7,10-11,13,16,23-24,29H,1-3,8-9,14-15H2/t23-,24+/m0/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14010
PNG
((20R)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...)
Show SMILES O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14005
PNG
((20R)-19,20,21,22-Tetrahydro-5-methyl-19-oxo-17H-1...)
Show SMILES CC1c2ccc(C#N)c(Oc3cccc(CN4CC[C@@H](NCc5cncn15)C4=O)c3)c2
Show InChI InChI=1S/C24H23N5O2/c1-16-18-5-6-19(11-25)23(10-18)31-21-4-2-3-17(9-21)14-28-8-7-22(24(28)30)27-13-20-12-26-15-29(16)20/h2-6,9-10,12,15-16,22,27H,7-8,13-14H2,1H3/t16?,22-/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(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
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(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
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14003
PNG
((20R)-17-(3-Chlorophenyl)-19,20,21,22-tetrahydro-1...)
Show SMILES Clc1cccc(c1)C1N2CC[C@@H](NCc3cncn3Cc3ccc(C#N)c(Oc4cccc1c4)c3)C2=O
Show InChI InChI=1S/C29H24ClN5O2/c30-23-5-1-3-20(12-23)28-21-4-2-6-25(13-21)37-27-11-19(7-8-22(27)14-31)17-34-18-32-15-24(34)16-33-26-9-10-35(28)29(26)36/h1-8,11-13,15,18,26,28,33H,9-10,16-17H2/t26-,28?/m1/s1
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Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14009
PNG
((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...)
Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m0/s1
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PubMed
n/an/a 3.5n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM13998
PNG
((20R)-19,20,21,22-Tetrahydro-19-oxo-17H-18,20-etha...)
Show SMILES O=C1[C@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C23H21N5O2/c24-10-18-5-4-17-9-22(18)30-20-3-1-2-16(8-20)13-27-7-6-21(23(27)29)26-12-19-11-25-15-28(19)14-17/h1-5,8-9,11,15,21,26H,6-7,12-14H2/t21-/m1/s1
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PubMed
n/an/a 3.5n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14020
PNG
((1R,2R,5S)-29-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)
Show SMILES O=C1[C@@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O2/c26-11-18-2-1-16-9-24(18)32-20-5-3-17-4-6-23(21(17)10-20)30-8-7-22(25(30)31)28-13-19-12-27-15-29(19)14-16/h1-3,5,9-10,12,15,22-23,28H,4,6-8,13-14H2/t22-,23+/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14026
PNG
((1R,2R,5S)-30-oxo-19,24-dioxa-2,6,10,12-tetraazahe...)
Show SMILES O=C1[C@@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O3/c26-11-17-2-1-16-9-24(17)33-19-3-4-23-20(10-19)22(6-8-32-23)30-7-5-21(25(30)31)28-13-18-12-27-15-29(18)14-16/h1-4,9-10,12,15,21-22,28H,5-8,13-14H2/t21-,22+/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14011
PNG
((5S)-6-methyl-30-oxo-19-oxa-2,6,10,12-tetraazahexa...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@H]1C5=O)c4c3)c2
Show InChI InChI=1S/C27H23N5O2/c1-30-16-21-14-29-17-31(21)15-18-5-6-20(13-28)26(11-18)34-22-8-7-19-3-2-4-24(23(19)12-22)32-10-9-25(30)27(32)33/h2-8,11-12,14,17,25H,9-10,15-16H2,1H3/t25-/m0/s1
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n/an/a 4.90n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14001
PNG
((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...)
Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1
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n/an/a 10n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14000
PNG
((6R)-23-chloro-27-oxo-20-oxa-3,7,11,13-tetraazapen...)
Show SMILES Clc1cc2CN3CC[C@@H](NCc4cncn4Cc4ccc(C#N)c(Oc(c1)c2)c4)C3=O
Show InChI InChI=1S/C23H20ClN5O2/c24-18-5-16-6-20(8-18)31-22-7-15(1-2-17(22)9-25)12-29-14-26-10-19(29)11-27-21-3-4-28(13-16)23(21)30/h1-2,5-8,10,14,21,27H,3-4,11-13H2/t21-/m1/s1
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n/an/a 23n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14003
PNG
((20R)-17-(3-Chlorophenyl)-19,20,21,22-tetrahydro-1...)
Show SMILES Clc1cccc(c1)C1N2CC[C@@H](NCc3cncn3Cc3ccc(C#N)c(Oc4cccc1c4)c3)C2=O
Show InChI InChI=1S/C29H24ClN5O2/c30-23-5-1-3-20(12-23)28-21-4-2-6-25(13-21)37-27-11-19(7-8-22(27)14-31)17-34-18-32-15-24(34)16-33-26-9-10-35(28)29(26)36/h1-8,11-13,15,18,26,28,33H,9-10,16-17H2/t26-,28?/m1/s1
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n/an/a 25n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
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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n/an/a 32n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
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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n/an/a 35n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
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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n/an/a 39n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14021
PNG
((1S,2S,5S)-29-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)
Show SMILES O=C1[C@@H]2CCN1[C@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O2/c26-11-18-2-1-16-9-24(18)32-20-5-3-17-4-6-23(21(17)10-20)30-8-7-22(25(30)31)28-13-19-12-27-15-29(19)14-16/h1-3,5,9-10,12,15,22-23,28H,4,6-8,13-14H2/t22-,23-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM13999
PNG
((6S)-27-oxo-20-oxa-3,7,11,13-tetraazapentacyclo[19...)
Show SMILES O=C1[C@@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C23H21N5O2/c24-10-18-5-4-17-9-22(18)30-20-3-1-2-16(8-20)13-27-7-6-21(23(27)29)26-12-19-11-25-15-28(19)14-17/h1-5,8-9,11,15,21,26H,6-7,12-14H2/t21-/m0/s1
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n/an/a 54n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14001
PNG
((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...)
Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1
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n/an/a 58n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
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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n/an/a 94n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
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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n/an/a 150n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14005
PNG
((20R)-19,20,21,22-Tetrahydro-5-methyl-19-oxo-17H-1...)
Show SMILES CC1c2ccc(C#N)c(Oc3cccc(CN4CC[C@@H](NCc5cncn15)C4=O)c3)c2
Show InChI InChI=1S/C24H23N5O2/c1-16-18-5-6-19(11-25)23(10-18)31-21-4-2-3-17(9-21)14-28-8-7-22(24(28)30)27-13-20-12-26-15-29(16)20/h2-6,9-10,12,15-16,22,27H,7-8,13-14H2,1H3/t16?,22-/m1/s1
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n/an/a 170n/an/an/an/a7.530



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14023
PNG
((1R,2R,5R)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)
Show SMILES O=C1[C@H]2CCN1[C@@H]1CCCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H25N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h4-7,10-11,13,16,23-24,29H,1-3,8-9,14-15H2/t23-,24-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14009
PNG
((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...)
Show SMILES O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14008
PNG
((11R)-32-oxo-25-oxa-8,12,16,18-tetraazahexacyclo[2...)
Show SMILES O=C1[C@H]2CCN1c1ccccc1-c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C28H23N5O2/c29-14-21-9-8-19-12-27(21)35-23-5-3-4-20(13-23)24-6-1-2-7-26(24)33-11-10-25(28(33)34)31-16-22-15-30-18-32(22)17-19/h1-9,12-13,15,18,25,31H,10-11,16-17H2/t25-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14003
PNG
((20R)-17-(3-Chlorophenyl)-19,20,21,22-tetrahydro-1...)
Show SMILES Clc1cccc(c1)C1N2CC[C@@H](NCc3cncn3Cc3ccc(C#N)c(Oc4cccc1c4)c3)C2=O
Show InChI InChI=1S/C29H24ClN5O2/c30-23-5-1-3-20(12-23)28-21-4-2-6-25(13-21)37-27-11-19(7-8-22(27)14-31)17-34-18-32-15-24(34)16-33-26-9-10-35(28)29(26)36/h1-8,11-13,15,18,26,28,33H,9-10,16-17H2/t26-,28?/m1/s1
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n/an/a 820n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14025
PNG
((1R,2R,5R)-30-oxo-19,24-dioxa-2,6,10,12-tetraazahe...)
Show SMILES O=C1[C@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O3/c26-11-17-2-1-16-9-24(17)33-19-3-4-23-20(10-19)22(6-8-32-23)30-7-5-21(25(30)31)28-13-18-12-27-15-29(18)14-16/h1-4,9-10,12,15,21-22,28H,5-8,13-14H2/t21-,22-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14001
PNG
((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...)
Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM14019
PNG
((1S,2S,5R)-29-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)
Show SMILES O=C1[C@H]2CCN1[C@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O2/c26-11-18-2-1-16-9-24(18)32-20-5-3-17-4-6-23(21(17)10-20)30-8-7-22(25(30)31)28-13-19-12-27-15-29(19)14-16/h1-3,5,9-10,12,15,22-23,28H,4,6-8,13-14H2/t22-,23+/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin...


J Med Chem 45: 2388-409 (2002)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14011
PNG
((5S)-6-methyl-30-oxo-19-oxa-2,6,10,12-tetraazahexa...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@H]1C5=O)c4c3)c2
Show InChI InChI=1S/C27H23N5O2/c1-30-16-21-14-29-17-31(21)15-18-5-6-20(13-28)26(11-18)34-22-8-7-19-3-2-4-24(23(19)12-22)32-10-9-25(30)27(32)33/h2-8,11-12,14,17,25H,9-10,15-16H2,1H3/t25-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14024
PNG
((1R,2R,5S)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)
Show SMILES O=C1[C@@H]2CCN1[C@@H]1CCCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H25N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h4-7,10-11,13,16,23-24,29H,1-3,8-9,14-15H2/t23-,24+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14010
PNG
((20R)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...)
Show SMILES O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14021
PNG
((1S,2S,5S)-29-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)
Show SMILES O=C1[C@@H]2CCN1[C@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O2/c26-11-18-2-1-16-9-24(18)32-20-5-3-17-4-6-23(21(17)10-20)30-8-7-22(25(30)31)28-13-19-12-27-15-29(19)14-16/h1-3,5,9-10,12,15,22-23,28H,4,6-8,13-14H2/t22-,23-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14001
PNG
((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...)
Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14003
PNG
((20R)-17-(3-Chlorophenyl)-19,20,21,22-tetrahydro-1...)
Show SMILES Clc1cccc(c1)C1N2CC[C@@H](NCc3cncn3Cc3ccc(C#N)c(Oc4cccc1c4)c3)C2=O
Show InChI InChI=1S/C29H24ClN5O2/c30-23-5-1-3-20(12-23)28-21-4-2-6-25(13-21)37-27-11-19(7-8-22(27)14-31)17-34-18-32-15-24(34)16-33-26-9-10-35(28)29(26)36/h1-8,11-13,15,18,26,28,33H,9-10,16-17H2/t26-,28?/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14007
PNG
((6R)-24-bromo-27-oxo-20-oxa-3,7,11,13-tetraazapent...)
Show SMILES Brc1ccc2Oc3cc(Cn4cncc4CN[C@@H]4CCN(Cc1c2)C4=O)ccc3C#N
Show InChI InChI=1S/C23H20BrN5O2/c24-20-4-3-19-8-17(20)13-28-6-5-21(23(28)30)27-11-18-10-26-14-29(18)12-15-1-2-16(9-25)22(7-15)31-19/h1-4,7-8,10,14,21,27H,5-6,11-13H2/t21-/m1/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14026
PNG
((1R,2R,5S)-30-oxo-19,24-dioxa-2,6,10,12-tetraazahe...)
Show SMILES O=C1[C@@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O3/c26-11-17-2-1-16-9-24(17)33-19-3-4-23-20(10-19)22(6-8-32-23)30-7-5-21(25(30)31)28-13-18-12-27-15-29(18)14-16/h1-4,9-10,12,15,21-22,28H,5-8,13-14H2/t21-,22+/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14018
PNG
((17R, 20R)-19,20,21,22-Tetrahydro-19-oxo-17H-15,-1...)
Show SMILES O=C1[C@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O2/c26-11-18-2-1-16-9-24(18)32-20-5-3-17-4-6-23(21(17)10-20)30-8-7-22(25(30)31)28-13-19-12-27-15-29(19)14-16/h1-3,5,9-10,12,15,22-23,28H,4,6-8,13-14H2/t22-,23-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14020
PNG
((1R,2R,5S)-29-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)
Show SMILES O=C1[C@@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O2/c26-11-18-2-1-16-9-24(18)32-20-5-3-17-4-6-23(21(17)10-20)30-8-7-22(25(30)31)28-13-19-12-27-15-29(19)14-16/h1-3,5,9-10,12,15,22-23,28H,4,6-8,13-14H2/t22-,23+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14019
PNG
((1S,2S,5R)-29-oxo-19-oxa-2,6,10,12-tetraazahexacyc...)
Show SMILES O=C1[C@H]2CCN1[C@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
Show InChI InChI=1S/C25H23N5O2/c26-11-18-2-1-16-9-24(18)32-20-5-3-17-4-6-23(21(17)10-20)30-8-7-22(25(30)31)28-13-19-12-27-15-29(19)14-16/h1-3,5,9-10,12,15,22-23,28H,4,6-8,13-14H2/t22-,23+/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14000
PNG
((6R)-23-chloro-27-oxo-20-oxa-3,7,11,13-tetraazapen...)
Show SMILES Clc1cc2CN3CC[C@@H](NCc4cncn4Cc4ccc(C#N)c(Oc(c1)c2)c4)C3=O
Show InChI InChI=1S/C23H20ClN5O2/c24-18-5-16-6-20(8-18)31-22-7-15(1-2-17(22)9-25)12-29-14-26-10-19(29)11-27-21-3-4-28(13-16)23(21)30/h1-2,5-8,10,14,21,27H,3-4,11-13H2/t21-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14022
PNG
((1R,2R,5R)-6-methyl-29-oxo-19-oxa-2,6,10,12-tetraa...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4CC[C@@H](N5CC[C@@H]1C5=O)c4c3)c2
Show InChI InChI=1S/C26H25N5O2/c1-29-15-20-13-28-16-30(20)14-17-2-3-19(12-27)25(10-17)33-21-6-4-18-5-7-23(22(18)11-21)31-9-8-24(29)26(31)32/h2-4,6,10-11,13,16,23-24H,5,7-9,14-15H2,1H3/t23-,24-/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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM13998
PNG
((20R)-19,20,21,22-Tetrahydro-19-oxo-17H-18,20-etha...)
Show SMILES O=C1[C@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C23H21N5O2/c24-10-18-5-4-17-9-22(18)30-20-3-1-2-16(8-20)13-27-7-6-21(23(27)29)26-12-19-11-25-15-28(19)14-17/h1-5,8-9,11,15,21,26H,6-7,12-14H2/t21-/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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14005
PNG
((20R)-19,20,21,22-Tetrahydro-5-methyl-19-oxo-17H-1...)
Show SMILES CC1c2ccc(C#N)c(Oc3cccc(CN4CC[C@@H](NCc5cncn15)C4=O)c3)c2
Show InChI InChI=1S/C24H23N5O2/c1-16-18-5-6-19(11-25)23(10-18)31-21-4-2-3-17(9-21)14-28-8-7-22(24(28)30)27-13-20-12-26-15-29(16)20/h2-6,9-10,12,15-16,22,27H,7-8,13-14H2,1H3/t16?,22-/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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM14005
PNG
((20R)-19,20,21,22-Tetrahydro-5-methyl-19-oxo-17H-1...)
Show SMILES CC1c2ccc(C#N)c(Oc3cccc(CN4CC[C@@H](NCc5cncn15)C4=O)c3)c2
Show InChI InChI=1S/C24H23N5O2/c1-16-18-5-6-19(11-25)23(10-18)31-21-4-2-3-17(9-21)14-28-8-7-22(24(28)30)27-13-20-12-26-15-29(16)20/h2-6,9-10,12,15-16,22,27H,7-8,13-14H2,1H3/t16?,22-/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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl Transferase (GGTase-I)


(Homo sapiens (human))
BDBM13999
PNG
((6S)-27-oxo-20-oxa-3,7,11,13-tetraazapentacyclo[19...)
Show SMILES O=C1[C@@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1
Show InChI InChI=1S/C23H21N5O2/c24-10-18-5-4-17-9-22(18)30-20-3-1-2-16(8-20)13-27-7-6-21(23(27)29)26-12-19-11-25-15-28(19)14-17/h1-5,8-9,11,15,21,26H,6-7,12-14H2/t21-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm010531d
BindingDB Entry DOI: 10.7270/Q2T72FPK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%