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PubMed code 11459639

Compile data set for download or QSAR
Found 74 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))
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))
BDBM50101925
PNG
(16-benzyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1ccccc1)ccc4C#N)cc23
Show InChI InChI=1S/C31H25N5O2/c32-16-24-10-9-22-14-30(24)38-26-12-11-23-7-4-8-28(27(23)15-26)35-31(37)29(13-21-5-2-1-3-6-21)34-18-25-17-33-20-36(25)19-22/h1-12,14-15,17,20,29,34H,13,18-19H2,(H,35,37)/t29-/m1/s1
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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
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101923
PNG
(16-ethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazapen...)
Show SMILES CC[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-2-23-26(32)30-24-5-3-4-18-8-9-21(11-22(18)24)33-25-10-17(6-7-19(25)12-27)15-31-16-28-13-20(31)14-29-23/h3-11,13,16,23,29H,2,14-15H2,1H3,(H,30,32)/t23-/m1/s1
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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
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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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))
BDBM50101916
PNG
(17-oxo-16-(3-pyridylmethyl)-(16R)-2-oxa-9,11,15,18...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1cccnc1)ccc4C#N)cc23
Show InChI InChI=1S/C30H24N6O2/c31-14-23-7-6-21-12-29(23)38-25-9-8-22-4-1-5-27(26(22)13-25)35-30(37)28(11-20-3-2-10-32-15-20)34-17-24-16-33-19-36(24)18-21/h1-10,12-13,15-16,19,28,34H,11,17-18H2,(H,35,37)/t28-/m1/s1
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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
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101918
PNG
(17-oxo-16-(2-thienylmethyl)-(16R)-2-oxa-9,11,15,18...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1cccs1)ccc4C#N)cc23
Show InChI InChI=1S/C29H23N5O2S/c30-14-21-7-6-19-11-28(21)36-23-9-8-20-3-1-5-26(25(20)12-23)33-29(35)27(13-24-4-2-10-37-24)32-16-22-15-31-18-34(22)17-19/h1-12,15,18,27,32H,13,16-17H2,(H,33,35)/t27-/m1/s1
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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
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101917
PNG
(20-oxo-2-oxa-9,11,15,19-tetraazapentacyclo[19.6.2....)
Show SMILES O=C1NCCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c27-13-20-6-5-18-11-25(20)33-22-8-7-19-3-1-4-23(24(19)12-22)26(32)30-10-2-9-28-14-21-15-29-17-31(21)16-18/h1,3-8,11-12,15,17,28H,2,9-10,14,16H2,(H,30,32)
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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
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101910
PNG
(15,20-dioxo-2-oxa-9,11,16,19-tetraazapentacyclo[19...)
Show SMILES O=C1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(C(=O)NCCN1)c4c3)c2
Show InChI InChI=1S/C26H21N5O3/c27-13-19-5-4-17-10-24(19)34-21-7-6-18-2-1-3-22(23(18)12-21)26(33)30-9-8-29-25(32)11-20-14-28-16-31(20)15-17/h1-7,10,12,14,16H,8-9,11,15H2,(H,29,32)(H,30,33)
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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
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101924
PNG
(15-benzyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...)
Show SMILES O=C1CN(Cc2ccccc2)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2
Show InChI InChI=1S/C31H25N5O2/c32-15-25-10-9-23-13-30(25)38-27-12-11-24-7-4-8-29(28(24)14-27)34-31(37)20-35(17-22-5-2-1-3-6-22)19-26-16-33-21-36(26)18-23/h1-14,16,21H,17-20H2,(H,34,37)
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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
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101922
PNG
(16-benzyl-15-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)[C@H]1Cc1ccccc1)c4c3)c2
Show InChI InChI=1S/C32H27N5O2/c1-36-20-26-18-34-21-37(26)19-23-10-11-25(17-33)31(15-23)39-27-13-12-24-8-5-9-29(28(24)16-27)35-32(38)30(36)14-22-6-3-2-4-7-22/h2-13,15-16,18,21,30H,14,19-20H2,1H3,(H,35,38)/t30-/m1/s1
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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
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101915
PNG
(17-methyl-15,18-dioxo-(17R)-2-oxa-9,11,16,19-tetra...)
Show SMILES C[C@H]1NC(=O)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C26H21N5O3/c1-16-26(33)30-23-4-2-3-18-7-8-21(11-22(18)23)34-24-9-17(5-6-19(24)12-27)14-31-15-28-13-20(31)10-25(32)29-16/h2-9,11,13,15-16H,10,14H2,1H3,(H,29,32)(H,30,33)/t16-/m1/s1
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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))
BDBM50101928
PNG
(17-benzyl-15,18-dioxo-(17R)-2-oxa-9,11,16,19-tetra...)
Show SMILES O=C1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)[C@@H](Cc5ccccc5)N1)c4c3)c2
Show InChI InChI=1S/C32H25N5O3/c33-17-24-10-9-22-14-30(24)40-26-12-11-23-7-4-8-28(27(23)16-26)36-32(39)29(13-21-5-2-1-3-6-21)35-31(38)15-25-18-34-20-37(25)19-22/h1-12,14,16,18,20,29H,13,15,19H2,(H,35,38)(H,36,39)/t29-/m1/s1
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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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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))
BDBM50101908
PNG
(15,18-dioxo-2-oxa-9,11,16,19-tetraazapentacyclo[18...)
Show SMILES O=C1CNC(=O)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2
Show InChI InChI=1S/C25H19N5O3/c26-11-18-5-4-16-8-23(18)33-20-7-6-17-2-1-3-22(21(17)10-20)29-25(32)13-28-24(31)9-19-12-27-15-30(19)14-16/h1-8,10,12,15H,9,13-14H2,(H,28,31)(H,29,32)
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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
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101926
PNG
(17-oxo-2-oxa-9,11,15,18-tetraazapentacyclo[17.6.2....)
Show SMILES O=C1CNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2
Show InChI InChI=1S/C24H19N5O2/c25-10-18-5-4-16-8-23(18)31-20-7-6-17-2-1-3-22(21(17)9-20)28-24(30)13-26-11-19-12-27-15-29(19)14-16/h1-9,12,15,26H,11,13-14H2,(H,28,30)
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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
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101912
PNG
(19-oxo-2-oxa-9,11,15,18-tetraazapentacyclo[18.6.2....)
Show SMILES O=C1NCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c26-12-19-5-4-17-10-24(19)32-21-7-6-18-2-1-3-22(23(18)11-21)25(31)29-9-8-27-13-20-14-28-16-30(20)15-17/h1-7,10-11,14,16,27H,8-9,13,15H2,(H,29,31)
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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
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))
BDBM50101921
PNG
(19-methyl-15,18-dioxo-2-oxa-9,11,16,19-tetraazapen...)
Show SMILES CN1c2cccc3ccc(Oc4cc(Cn5cncc5CC(=O)NCC1=O)ccc4C#N)cc23
Show InChI InChI=1S/C26H21N5O3/c1-30-23-4-2-3-18-7-8-21(11-22(18)23)34-24-9-17(5-6-19(24)12-27)15-31-16-28-13-20(31)10-25(32)29-14-26(30)33/h2-9,11,13,16H,10,14-15H2,1H3,(H,29,32)
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n/an/a 6.60n/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
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101931
PNG
(15,16-dimethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetra...)
Show SMILES C[C@H]1N(C)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-17-26(32)29-24-5-3-4-19-8-9-22(11-23(19)24)33-25-10-18(6-7-20(25)12-27)14-31-16-28-13-21(31)15-30(17)2/h3-11,13,16-17H,14-15H2,1-2H3,(H,29,32)/t17-/m1/s1
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n/an/a 7n/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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101912
PNG
(19-oxo-2-oxa-9,11,15,18-tetraazapentacyclo[18.6.2....)
Show SMILES O=C1NCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c26-12-19-5-4-17-10-24(19)32-21-7-6-18-2-1-3-22(23(18)11-21)25(31)29-9-8-27-13-20-14-28-16-30(20)15-17/h1-7,10-11,14,16,27H,8-9,13,15H2,(H,29,31)
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n/an/a 7.10n/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
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))
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)/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)


(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))
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)
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)


(Homo sapiens (human))
BDBM50101927
PNG
(16,18-dimethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetra...)
Show SMILES C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N(C)C1=O)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-17-26(32)30(2)24-5-3-4-19-8-9-22(11-23(19)24)33-25-10-18(6-7-20(25)12-27)15-31-16-28-13-21(31)14-29-17/h3-11,13,16-17,29H,14-15H2,1-2H3/t17-/m1/s1
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n/an/a 16n/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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101927
PNG
(16,18-dimethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetra...)
Show SMILES C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N(C)C1=O)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-17-26(32)30(2)24-5-3-4-19-8-9-22(11-23(19)24)33-25-10-18(6-7-20(25)12-27)15-31-16-28-13-21(31)14-29-17/h3-11,13,16-17,29H,14-15H2,1-2H3/t17-/m1/s1
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n/an/a 17n/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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101925
PNG
(16-benzyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1ccccc1)ccc4C#N)cc23
Show InChI InChI=1S/C31H25N5O2/c32-16-24-10-9-22-14-30(24)38-26-12-11-23-7-4-8-28(27(23)15-26)35-31(37)29(13-21-5-2-1-3-6-21)34-18-25-17-33-20-36(25)19-22/h1-12,14-15,17,20,29,34H,13,18-19H2,(H,35,37)/t29-/m1/s1
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n/an/a 17n/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
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)/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))
BDBM50101928
PNG
(17-benzyl-15,18-dioxo-(17R)-2-oxa-9,11,16,19-tetra...)
Show SMILES O=C1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)[C@@H](Cc5ccccc5)N1)c4c3)c2
Show InChI InChI=1S/C32H25N5O3/c33-17-24-10-9-22-14-30(24)40-26-12-11-23-7-4-8-28(27(23)16-26)36-32(39)29(13-21-5-2-1-3-6-21)35-31(38)15-25-18-34-20-37(25)19-22/h1-12,14,16,18,20,29H,13,15,19H2,(H,35,38)(H,36,39)/t29-/m1/s1
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n/an/a 29n/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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101924
PNG
(15-benzyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...)
Show SMILES O=C1CN(Cc2ccccc2)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2
Show InChI InChI=1S/C31H25N5O2/c32-15-25-10-9-23-13-30(25)38-27-12-11-24-7-4-8-29(28(24)14-27)34-31(37)20-35(17-22-5-2-1-3-6-22)19-26-16-33-21-36(26)18-23/h1-14,16,21H,17-20H2,(H,34,37)
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n/an/a 30n/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))
BDBM50101926
PNG
(17-oxo-2-oxa-9,11,15,18-tetraazapentacyclo[17.6.2....)
Show SMILES O=C1CNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2
Show InChI InChI=1S/C24H19N5O2/c25-10-18-5-4-16-8-23(18)31-20-7-6-17-2-1-3-22(21(17)9-20)28-24(30)13-26-11-19-12-27-15-29(19)14-16/h1-9,12,15,26H,11,13-14H2,(H,28,30)
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n/an/a 37n/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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101918
PNG
(17-oxo-16-(2-thienylmethyl)-(16R)-2-oxa-9,11,15,18...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1cccs1)ccc4C#N)cc23
Show InChI InChI=1S/C29H23N5O2S/c30-14-21-7-6-19-11-28(21)36-23-9-8-20-3-1-5-26(25(20)12-23)33-29(35)27(13-24-4-2-10-37-24)32-16-22-15-31-18-34(22)17-19/h1-12,15,18,27,32H,13,16-17H2,(H,33,35)/t27-/m1/s1
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n/an/a 43n/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)


(Homo sapiens (human))
BDBM50101919
PNG
(15,16-dibenzyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetra...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN(Cc5ccccc5)[C@@H]1Cc1ccccc1)ccc4C#N)cc23
Show InChI InChI=1S/C38H31N5O2/c39-21-31-15-14-29-19-37(31)45-33-17-16-30-12-7-13-35(34(30)20-33)41-38(44)36(18-27-8-3-1-4-9-27)42(23-28-10-5-2-6-11-28)25-32-22-40-26-43(32)24-29/h1-17,19-20,22,26,36H,18,23-25H2,(H,41,44)/t36-/m1/s1
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n/an/a 50n/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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101915
PNG
(17-methyl-15,18-dioxo-(17R)-2-oxa-9,11,16,19-tetra...)
Show SMILES C[C@H]1NC(=O)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C26H21N5O3/c1-16-26(33)30-23-4-2-3-18-7-8-21(11-22(18)23)34-24-9-17(5-6-19(24)12-27)14-31-15-28-13-20(31)10-25(32)29-16/h2-9,11,13,15-16H,10,14H2,1H3,(H,29,32)(H,30,33)/t16-/m1/s1
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n/an/a 50n/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
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))
BDBM50101921
PNG
(19-methyl-15,18-dioxo-2-oxa-9,11,16,19-tetraazapen...)
Show SMILES CN1c2cccc3ccc(Oc4cc(Cn5cncc5CC(=O)NCC1=O)ccc4C#N)cc23
Show InChI InChI=1S/C26H21N5O3/c1-30-23-4-2-3-18-7-8-21(11-22(18)23)34-24-9-17(5-6-19(24)12-27)15-31-16-28-13-20(31)10-25(32)29-14-26(30)33/h2-9,11,13,16H,10,14-15H2,1H3,(H,29,32)
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n/an/a 65n/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))
BDBM50101925
PNG
(16-benzyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1ccccc1)ccc4C#N)cc23
Show InChI InChI=1S/C31H25N5O2/c32-16-24-10-9-22-14-30(24)38-26-12-11-23-7-4-8-28(27(23)15-26)35-31(37)29(13-21-5-2-1-3-6-21)34-18-25-17-33-20-36(25)19-22/h1-12,14-15,17,20,29,34H,13,18-19H2,(H,35,37)/t29-/m1/s1
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n/an/a 66n/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))
BDBM50101908
PNG
(15,18-dioxo-2-oxa-9,11,16,19-tetraazapentacyclo[18...)
Show SMILES O=C1CNC(=O)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2
Show InChI InChI=1S/C25H19N5O3/c26-11-18-5-4-16-8-23(18)33-20-7-6-17-2-1-3-22(21(17)10-20)29-25(32)13-28-24(31)9-19-12-27-15-30(19)14-16/h1-8,10,12,15H,9,13-14H2,(H,28,31)(H,29,32)
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n/an/a 67n/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))
BDBM50101918
PNG
(17-oxo-16-(2-thienylmethyl)-(16R)-2-oxa-9,11,15,18...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1cccs1)ccc4C#N)cc23
Show InChI InChI=1S/C29H23N5O2S/c30-14-21-7-6-19-11-28(21)36-23-9-8-20-3-1-5-26(25(20)12-23)33-29(35)27(13-24-4-2-10-37-24)32-16-22-15-31-18-34(22)17-19/h1-12,15,18,27,32H,13,16-17H2,(H,33,35)/t27-/m1/s1
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n/an/a 72n/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))
BDBM50101912
PNG
(19-oxo-2-oxa-9,11,15,18-tetraazapentacyclo[18.6.2....)
Show SMILES O=C1NCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2
Show InChI InChI=1S/C25H21N5O2/c26-12-19-5-4-17-10-24(19)32-21-7-6-18-2-1-3-22(23(18)11-21)25(31)29-9-8-27-13-20-14-28-16-30(20)15-17/h1-7,10-11,14,16,27H,8-9,13,15H2,(H,29,31)
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n/an/a 77n/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))
BDBM50101917
PNG
(20-oxo-2-oxa-9,11,15,19-tetraazapentacyclo[19.6.2....)
Show SMILES O=C1NCCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c27-13-20-6-5-18-11-25(20)33-22-8-7-19-3-1-4-23(24(19)12-22)26(32)30-10-2-9-28-14-21-15-29-17-31(21)16-18/h1,3-8,11-12,15,17,28H,2,9-10,14,16H2,(H,30,32)
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n/an/a 99n/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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101931
PNG
(15,16-dimethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetra...)
Show SMILES C[C@H]1N(C)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-17-26(32)29-24-5-3-4-19-8-9-22(11-23(19)24)33-25-10-18(6-7-20(25)12-27)14-31-16-28-13-21(31)15-30(17)2/h3-11,13,16-17H,14-15H2,1-2H3,(H,29,32)/t17-/m1/s1
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n/an/a>100n/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))
BDBM50101916
PNG
(17-oxo-16-(3-pyridylmethyl)-(16R)-2-oxa-9,11,15,18...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1cccnc1)ccc4C#N)cc23
Show InChI InChI=1S/C30H24N6O2/c31-14-23-7-6-21-12-29(23)38-25-9-8-22-4-1-5-27(26(22)13-25)35-30(37)28(11-20-3-2-10-32-15-20)34-17-24-16-33-19-36(24)18-21/h1-10,12-13,15-16,19,28,34H,11,17-18H2,(H,35,37)/t28-/m1/s1
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n/an/a 147n/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))
BDBM50101908
PNG
(15,18-dioxo-2-oxa-9,11,16,19-tetraazapentacyclo[18...)
Show SMILES O=C1CNC(=O)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2
Show InChI InChI=1S/C25H19N5O3/c26-11-18-5-4-16-8-23(18)33-20-7-6-17-2-1-3-22(21(17)10-20)29-25(32)13-28-24(31)9-19-12-27-15-30(19)14-16/h1-8,10,12,15H,9,13-14H2,(H,28,31)(H,29,32)
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n/an/a 150n/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))
BDBM50101922
PNG
(16-benzyl-15-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)[C@H]1Cc1ccccc1)c4c3)c2
Show InChI InChI=1S/C32H27N5O2/c1-36-20-26-18-34-21-37(26)19-23-10-11-25(17-33)31(15-23)39-27-13-12-24-8-5-9-29(28(24)16-27)35-32(38)30(36)14-22-6-3-2-4-7-22/h2-13,15-16,18,21,30H,14,19-20H2,1H3,(H,35,38)/t30-/m1/s1
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n/an/a 184n/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))
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))
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))
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))
BDBM50101910
PNG
(15,20-dioxo-2-oxa-9,11,16,19-tetraazapentacyclo[19...)
Show SMILES O=C1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(C(=O)NCCN1)c4c3)c2
Show InChI InChI=1S/C26H21N5O3/c27-13-19-5-4-17-10-24(19)34-21-7-6-18-2-1-3-22(23(18)12-21)26(33)30-9-8-29-25(32)11-20-14-28-16-31(20)15-17/h1-7,10,12,14,16H,8-9,11,15H2,(H,29,32)(H,30,33)
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n/an/a 250n/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))
BDBM50101915
PNG
(17-methyl-15,18-dioxo-(17R)-2-oxa-9,11,16,19-tetra...)
Show SMILES C[C@H]1NC(=O)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C26H21N5O3/c1-16-26(33)30-23-4-2-3-18-7-8-21(11-22(18)23)34-24-9-17(5-6-19(24)12-27)14-31-15-28-13-20(31)10-25(32)29-16/h2-9,11,13,15-16H,10,14H2,1H3,(H,29,32)(H,30,33)/t16-/m1/s1
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n/an/a 258n/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))
BDBM50101928
PNG
(17-benzyl-15,18-dioxo-(17R)-2-oxa-9,11,16,19-tetra...)
Show SMILES O=C1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)[C@@H](Cc5ccccc5)N1)c4c3)c2
Show InChI InChI=1S/C32H25N5O3/c33-17-24-10-9-22-14-30(24)40-26-12-11-23-7-4-8-28(27(23)16-26)36-32(39)29(13-21-5-2-1-3-6-21)35-31(38)15-25-18-34-20-37(25)19-22/h1-12,14,16,18,20,29H,13,15,19H2,(H,35,38)(H,36,39)/t29-/m1/s1
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n/an/a 310n/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))
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))
BDBM50101922
PNG
(16-benzyl-15-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-...)
Show SMILES CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC(=O)[C@H]1Cc1ccccc1)c4c3)c2
Show InChI InChI=1S/C32H27N5O2/c1-36-20-26-18-34-21-37(26)19-23-10-11-25(17-33)31(15-23)39-27-13-12-24-8-5-9-29(28(24)16-27)35-32(38)30(36)14-22-6-3-2-4-7-22/h2-13,15-16,18,21,30H,14,19-20H2,1H3,(H,35,38)/t30-/m1/s1
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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))
BDBM50101910
PNG
(15,20-dioxo-2-oxa-9,11,16,19-tetraazapentacyclo[19...)
Show SMILES O=C1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(C(=O)NCCN1)c4c3)c2
Show InChI InChI=1S/C26H21N5O3/c27-13-19-5-4-17-10-24(19)34-21-7-6-18-2-1-3-22(23(18)12-21)26(33)30-9-8-29-25(32)11-20-14-28-16-31(20)15-17/h1-7,10,12,14,16H,8-9,11,15H2,(H,29,32)(H,30,33)
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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))
BDBM50101923
PNG
(16-ethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazapen...)
Show SMILES CC[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-2-23-26(32)30-24-5-3-4-18-8-9-21(11-22(18)24)33-25-10-17(6-7-19(25)12-27)15-31-16-28-13-20(31)14-29-23/h3-11,13,16,23,29H,2,14-15H2,1H3,(H,30,32)/t23-/m1/s1
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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))
BDBM50101923
PNG
(16-ethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazapen...)
Show SMILES CC[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-2-23-26(32)30-24-5-3-4-18-8-9-21(11-22(18)24)33-25-10-17(6-7-19(25)12-27)15-31-16-28-13-20(31)14-29-23/h3-11,13,16,23,29H,2,14-15H2,1H3,(H,30,32)/t23-/m1/s1
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n/an/a 469n/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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101919
PNG
(15,16-dibenzyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetra...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN(Cc5ccccc5)[C@@H]1Cc1ccccc1)ccc4C#N)cc23
Show InChI InChI=1S/C38H31N5O2/c39-21-31-15-14-29-19-37(31)45-33-17-16-30-12-7-13-35(34(30)20-33)41-38(44)36(18-27-8-3-1-4-9-27)42(23-28-10-5-2-6-11-28)25-32-22-40-26-43(32)24-29/h1-17,19-20,22,26,36H,18,23-25H2,(H,41,44)/t36-/m1/s1
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n/an/a 574n/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))
BDBM50101926
PNG
(17-oxo-2-oxa-9,11,15,18-tetraazapentacyclo[17.6.2....)
Show SMILES O=C1CNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2
Show InChI InChI=1S/C24H19N5O2/c25-10-18-5-4-16-8-23(18)31-20-7-6-17-2-1-3-22(21(17)9-20)28-24(30)13-26-11-19-12-27-15-29(19)14-16/h1-9,12,15,26H,11,13-14H2,(H,28,30)
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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))
BDBM50101917
PNG
(20-oxo-2-oxa-9,11,15,19-tetraazapentacyclo[19.6.2....)
Show SMILES O=C1NCCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c27-13-20-6-5-18-11-25(20)33-22-8-7-19-3-1-4-23(24(19)12-22)26(32)30-10-2-9-28-14-21-15-29-17-31(21)16-18/h1,3-8,11-12,15,17,28H,2,9-10,14,16H2,(H,30,32)
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n/an/a 890n/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))
BDBM50101921
PNG
(19-methyl-15,18-dioxo-2-oxa-9,11,16,19-tetraazapen...)
Show SMILES CN1c2cccc3ccc(Oc4cc(Cn5cncc5CC(=O)NCC1=O)ccc4C#N)cc23
Show InChI InChI=1S/C26H21N5O3/c1-30-23-4-2-3-18-7-8-21(11-22(18)23)34-24-9-17(5-6-19(24)12-27)15-31-16-28-13-20(31)10-25(32)29-14-26(30)33/h2-9,11,13,16H,10,14-15H2,1H3,(H,29,32)
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n/an/a 1.09E+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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101931
PNG
(15,16-dimethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetra...)
Show SMILES C[C@H]1N(C)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-17-26(32)29-24-5-3-4-19-8-9-22(11-23(19)24)33-25-10-18(6-7-20(25)12-27)14-31-16-28-13-21(31)15-30(17)2/h3-11,13,16-17H,14-15H2,1-2H3,(H,29,32)/t17-/m1/s1
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n/an/a 1.22E+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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50101916
PNG
(17-oxo-16-(3-pyridylmethyl)-(16R)-2-oxa-9,11,15,18...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN[C@@H]1Cc1cccnc1)ccc4C#N)cc23
Show InChI InChI=1S/C30H24N6O2/c31-14-23-7-6-21-12-29(23)38-25-9-8-22-4-1-5-27(26(22)13-25)35-30(37)28(11-20-3-2-10-32-15-20)34-17-24-16-33-19-36(24)18-21/h1-10,12-13,15-16,19,28,34H,11,17-18H2,(H,35,37)/t28-/m1/s1
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n/an/a 1.31E+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))
BDBM50101927
PNG
(16,18-dimethyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetra...)
Show SMILES C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N(C)C1=O)c4c3)c2
Show InChI InChI=1S/C26H23N5O2/c1-17-26(32)30(2)24-5-3-4-19-8-9-22(11-23(19)24)33-25-10-18(6-7-20(25)12-27)15-31-16-28-13-21(31)14-29-17/h3-11,13,16-17,29H,14-15H2,1-2H3/t17-/m1/s1
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n/an/a 3.16E+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
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))
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))
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
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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50101919
PNG
(15,16-dibenzyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetra...)
Show SMILES O=C1Nc2cccc3ccc(Oc4cc(Cn5cncc5CN(Cc5ccccc5)[C@@H]1Cc1ccccc1)ccc4C#N)cc23
Show InChI InChI=1S/C38H31N5O2/c39-21-31-15-14-29-19-37(31)45-33-17-16-30-12-7-13-35(34(30)20-33)41-38(44)36(18-27-8-3-1-4-9-27)42(23-28-10-5-2-6-11-28)25-32-22-40-26-43(32)24-29/h1-17,19-20,22,26,36H,18,23-25H2,(H,41,44)/t36-/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))
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))
BDBM50101924
PNG
(15-benzyl-17-oxo-2-oxa-9,11,15,18-tetraazapentacyc...)
Show SMILES O=C1CN(Cc2ccccc2)Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N1)c4c3)c2
Show InChI InChI=1S/C31H25N5O2/c32-15-25-10-9-23-13-30(25)38-27-12-11-24-7-4-8-29(28(24)14-27)34-31(37)20-35(17-22-5-2-1-3-6-22)19-26-16-33-21-36(26)18-23/h1-14,16,21H,17-20H2,(H,34,37)
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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
* indicates data uncertainty>20%