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10 molecules are shown

Wt: 435.4
BDBM14009
Wt: 435.4
BDBM14010
Wt: 437.4
BDBM50101909
Wt: 423.4
BDBM50101911
Wt: 423.4
BDBM50101913
Wt: 423.4
BDBM50101914
Wt: 513.5
BDBM50101920
Wt: 435.4
BDBM50101929
Wt: 423.4
BDBM50101930
Wt: 451.5
BDBM50101932

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 14009,14010,50101909,50101911,50101913,50101914,50101920,50101929,50101930,50101932   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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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)
Voltage-gated potassium channel


(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 8.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


J Med Chem 52: 4266-76 (2009)


Article DOI: 10.1021/jm900002x
BindingDB Entry DOI: 10.7270/Q2MK6DT2
More data for this
Ligand-Target Pair
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))
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)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101911
PNG
(16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...)
Show SMILES C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c1-16-25(31)29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)14-30-15-27-12-20(30)13-28-16/h2-10,12,15-16,28H,13-14H2,1H3,(H,29,31)/t16-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101909
PNG
(15,18-dimethyl-17-oxo-2-oxa-9,11,15,18-tetraazapen...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N(C)C(=O)C1)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-29-15-21-13-28-17-31(21)14-18-6-7-20(12-27)25(10-18)33-22-9-8-19-4-3-5-24(23(19)11-22)30(2)26(32)16-29/h3-11,13,17H,14-16H2,1-2H3
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n/an/a 8.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101930
PNG
(16-methyl-17-oxo-(16S)-2-oxa-9,11,15,18-tetraazape...)
Show SMILES C[C@@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c1-16-25(31)29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)14-30-15-27-12-20(30)13-28-16/h2-10,12,15-16,28H,13-14H2,1H3,(H,29,31)/t16-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101920
PNG
(15-benzyl-16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-...)
Show SMILES C[C@H]1N(Cc2ccccc2)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C32H27N5O2/c1-22-32(38)35-30-9-5-8-25-12-13-28(15-29(25)30)39-31-14-24(10-11-26(31)16-33)19-37-21-34-17-27(37)20-36(22)18-23-6-3-2-4-7-23/h2-15,17,21-22H,18-20H2,1H3,(H,35,38)/t22-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101932
PNG
(15,16,18-trimethyl-17-oxo-(16R)-2-oxa-9,11,15,18-t...)
Show SMILES C[C@H]1N(C)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N(C)C1=O)c4c3)c2
Show InChI InChI=1S/C27H25N5O2/c1-18-27(33)31(3)25-6-4-5-20-9-10-23(12-24(20)25)34-26-11-19(7-8-21(26)13-28)15-32-17-29-14-22(32)16-30(18)2/h4-12,14,17-18H,15-16H2,1-3H3/t18-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101914
PNG
(15-methyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)C1)c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c1-29-14-20-12-27-16-30(20)13-17-5-6-19(11-26)24(9-17)32-21-8-7-18-3-2-4-23(22(18)10-21)28-25(31)15-29/h2-10,12,16H,13-15H2,1H3,(H,28,31)
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n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101913
PNG
(18-methyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...)
Show SMILES CN1c2cccc3ccc(Oc4cc(Cn5cncc5CNCC1=O)ccc4C#N)cc23
Show InChI InChI=1S/C25H21N5O2/c1-29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)15-30-16-28-13-20(30)12-27-14-25(29)31/h2-10,13,16,27H,12,14-15H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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n/an/a 301n/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 Ki...


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 Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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n/an/a 0.290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.


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
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


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
3D
3D Structure (docked)
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (human))
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against farnesyltransferase was determined


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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101909
PNG
(15,18-dimethyl-17-oxo-2-oxa-9,11,15,18-tetraazapen...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N(C)C(=O)C1)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-29-15-21-13-28-17-31(21)14-18-6-7-20(12-27)25(10-18)33-22-9-8-19-4-3-5-24(23(19)11-22)30(2)26(32)16-29/h3-11,13,17H,14-16H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101920
PNG
(15-benzyl-16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-...)
Show SMILES C[C@H]1N(Cc2ccccc2)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C32H27N5O2/c1-22-32(38)35-30-9-5-8-25-12-13-28(15-29(25)30)39-31-14-24(10-11-26(31)16-33)19-37-21-34-17-27(37)20-36(22)18-23-6-3-2-4-7-23/h2-15,17,21-22H,18-20H2,1H3,(H,35,38)/t22-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101913
PNG
(18-methyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...)
Show SMILES CN1c2cccc3ccc(Oc4cc(Cn5cncc5CNCC1=O)ccc4C#N)cc23
Show InChI InChI=1S/C25H21N5O2/c1-29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)15-30-16-28-13-20(30)12-27-14-25(29)31/h2-10,13,16,27H,12,14-15H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to human Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101932
PNG
(15,16,18-trimethyl-17-oxo-(16R)-2-oxa-9,11,15,18-t...)
Show SMILES C[C@H]1N(C)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N(C)C1=O)c4c3)c2
Show InChI InChI=1S/C27H25N5O2/c1-18-27(33)31(3)25-6-4-5-20-9-10-23(12-24(20)25)34-26-11-19(7-8-21(26)13-28)15-32-17-29-14-22(32)16-30(18)2/h4-12,14,17-18H,15-16H2,1-3H3/t18-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-buserelin binding to rat Gonadotropin-releasing hormone receptor.


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101914
PNG
(15-methyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)C1)c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c1-29-14-20-12-27-16-30(20)13-17-5-6-19(11-26)24(9-17)32-21-8-7-18-3-2-4-23(22(18)10-21)28-25(31)15-29/h2-10,12,16H,13-15H2,1H3,(H,28,31)
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n/an/a 196n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human geranylgeranyl transferase type I (GGPTase-1)-catalyzed incorporation of 3H GGPP (100 nM) into K-Ras...


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101930
PNG
(16-methyl-17-oxo-(16S)-2-oxa-9,11,15,18-tetraazape...)
Show SMILES C[C@@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c1-16-25(31)29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)14-30-15-27-12-20(30)13-28-16/h2-10,12,15-16,28H,13-14H2,1H3,(H,29,31)/t16-/m0/s1
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n/an/a 248n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human geranylgeranyl transferase type I (GGPTase-1)-catalyzed incorporation of 3H GGPP (100 nM) into K-Ras...


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101911
PNG
(16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...)
Show SMILES C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c1-16-25(31)29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)14-30-15-27-12-20(30)13-28-16/h2-10,12,15-16,28H,13-14H2,1H3,(H,29,31)/t16-/m1/s1
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n/an/a 313n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human geranylgeranyl transferase type I (GGPTase-1)-catalyzed incorporation of 3H GGPP (100 nM) into K-Ras...


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101913
PNG
(18-methyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...)
Show SMILES CN1c2cccc3ccc(Oc4cc(Cn5cncc5CNCC1=O)ccc4C#N)cc23
Show InChI InChI=1S/C25H21N5O2/c1-29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)15-30-16-28-13-20(30)12-27-14-25(29)31/h2-10,13,16,27H,12,14-15H2,1H3
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n/an/a 6.72E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101909
PNG
(15,18-dimethyl-17-oxo-2-oxa-9,11,15,18-tetraazapen...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N(C)C(=O)C1)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-29-15-21-13-28-17-31(21)14-18-6-7-20(12-27)25(10-18)33-22-9-8-19-4-3-5-24(23(19)11-22)30(2)26(32)16-29/h3-11,13,17H,14-16H2,1-2H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human geranylgeranyl transferase type I (GGPTase-1)-catalyzed incorporation of 3H GGPP (100 nM) into K-Ras...


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101911
PNG
(16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...)
Show SMILES C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c1-16-25(31)29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)14-30-15-27-12-20(30)13-28-16/h2-10,12,15-16,28H,13-14H2,1H3,(H,29,31)/t16-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101930
PNG
(16-methyl-17-oxo-(16S)-2-oxa-9,11,15,18-tetraazape...)
Show SMILES C[C@@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c1-16-25(31)29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)14-30-15-27-12-20(30)13-28-16/h2-10,12,15-16,28H,13-14H2,1H3,(H,29,31)/t16-/m0/s1
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n/an/a 4.82E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101914
PNG
(15-methyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)C1)c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c1-29-14-20-12-27-16-30(20)13-17-5-6-19(11-26)24(9-17)32-21-8-7-18-3-2-4-23(22(18)10-21)28-25(31)15-29/h2-10,12,16H,13-15H2,1H3,(H,28,31)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101920
PNG
(15-benzyl-16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-...)
Show SMILES C[C@H]1N(Cc2ccccc2)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C32H27N5O2/c1-22-32(38)35-30-9-5-8-25-12-13-28(15-29(25)30)39-31-14-24(10-11-26(31)16-33)19-37-21-34-17-27(37)20-36(22)18-23-6-3-2-4-7-23/h2-15,17,21-22H,18-20H2,1H3,(H,35,38)/t22-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human geranylgeranyl transferase type I (GGPTase-1)-catalyzed incorporation of 3H GGPP (100 nM) into K-Ras...


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101932
PNG
(15,16,18-trimethyl-17-oxo-(16R)-2-oxa-9,11,15,18-t...)
Show SMILES C[C@H]1N(C)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N(C)C1=O)c4c3)c2
Show InChI InChI=1S/C27H25N5O2/c1-18-27(33)31(3)25-6-4-5-20-9-10-23(12-24(20)25)34-26-11-19(7-8-21(26)13-28)15-32-17-29-14-22(32)16-30(18)2/h4-12,14,17-18H,15-16H2,1-3H3/t18-/m1/s1
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n/an/a 6.76E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity to reduce the human geranylgeranyl transferase type I (GGPTase-1)-catalyzed incorporation of 3H GGPP (100 nM) into K-Ras...


Bioorg Med Chem Lett 11: 1817-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00340-7
BindingDB Entry DOI: 10.7270/Q2R210PG
More data for this
Ligand-Target Pair
DnaJ homolog subfamily A member 1


(Homo sapiens)
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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n/an/an/an/a 2n/an/an/an/a



Universite£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of HDJ2


J Med Chem 54: 1961-2004 (2011)


Article DOI: 10.1021/jm1012374
BindingDB Entry DOI: 10.7270/Q28C9XDV
More data for this
Ligand-Target Pair
Ras-related protein Rap-1A


(Homo sapiens)
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universite£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of Rap1a


J Med Chem 54: 1961-2004 (2011)


Article DOI: 10.1021/jm1012374
BindingDB Entry DOI: 10.7270/Q28C9XDV
More data for this
Ligand-Target Pair
GTPase KRas


(Homo sapiens)
BDBM50101929
PNG
(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universite£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of Ki-Ras


J Med Chem 54: 1961-2004 (2011)


Article DOI: 10.1021/jm1012374
BindingDB Entry DOI: 10.7270/Q28C9XDV
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(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 1.05E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


J Med Chem 52: 4266-76 (2009)


Article DOI: 10.1021/jm900002x
BindingDB Entry DOI: 10.7270/Q2MK6DT2
More data for this
Ligand-Target Pair
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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n/an/a 1.60n/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)