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PubMed code 11378366

Compile data set for download or QSAR
Found 40 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))
BDBM50097071
PNG
(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100004
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES OCCOc1cccc(Oc2cc(Cn3cncc3CN3CCN(C(=O)C3)c3cccc(Cl)c3)ccc2C#N)c1
Show InChI InChI=1S/C30H28ClN5O4/c31-24-3-1-4-25(14-24)36-10-9-34(20-30(36)38)19-26-17-33-21-35(26)18-22-7-8-23(16-32)29(13-22)40-28-6-2-5-27(15-28)39-12-11-37/h1-8,13-15,17,21,37H,9-12,18-20H2
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100001
PNG
(5-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(Oc3ccccc3)c(c2)C#N)CC1=O
Show InChI InChI=1S/C28H24ClN5O2/c29-23-5-4-6-24(14-23)34-12-11-32(19-28(34)35)18-25-16-31-20-33(25)17-21-9-10-27(22(13-21)15-30)36-26-7-2-1-3-8-26/h1-10,13-14,16,20H,11-12,17-19H2
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099993
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3cccnc3)c2)CC1=O
Show InChI InChI=1S/C27H23ClN6O2/c28-22-3-1-4-23(12-22)34-10-9-32(18-27(34)35)17-24-14-31-19-33(24)16-20-6-7-21(13-29)26(11-20)36-25-5-2-8-30-15-25/h1-8,11-12,14-15,19H,9-10,16-18H2
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100002
PNG
(2-(2-Chloro-phenoxy)-4-{5-[4-(3-chloro-phenyl)-3-o...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccccc3Cl)c2)CC1=O
Show InChI InChI=1S/C28H23Cl2N5O2/c29-22-4-3-5-23(13-22)35-11-10-33(18-28(35)36)17-24-15-32-19-34(24)16-20-8-9-21(14-31)27(12-20)37-26-7-2-1-6-25(26)30/h1-9,12-13,15,19H,10-11,16-18H2
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099994
PNG
(4-((5-((4-(3-chlorophenyl)-3-oxopiperazin-1-yl)met...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4ccccc4c3)c2)CC1=O
Show InChI InChI=1S/C32H26ClN5O2/c33-27-6-3-7-28(16-27)38-13-12-36(21-32(38)39)20-29-18-35-22-37(29)19-23-8-9-26(17-34)31(14-23)40-30-11-10-24-4-1-2-5-25(24)15-30/h1-11,14-16,18,22H,12-13,19-21H2
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n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099999
PNG
(1-(3-Chloro-phenyl)-4-[3-(3-phenoxy-benzyl)-3H-imi...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2cccc(Oc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C27H25ClN4O2/c28-22-7-5-8-23(15-22)32-13-12-30(19-27(32)33)18-24-16-29-20-31(24)17-21-6-4-11-26(14-21)34-25-9-2-1-3-10-25/h1-11,14-16,20H,12-13,17-19H2
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099997
PNG
(2-(3-Chloro-phenoxy)-4-{5-[4-(3-chloro-phenyl)-3-o...)
Show SMILES Clc1cccc(Oc2cc(Cn3cncc3CN3CCN(C(=O)C3)c3cccc(Cl)c3)ccc2C#N)c1
Show InChI InChI=1S/C28H23Cl2N5O2/c29-22-3-1-5-24(12-22)35-10-9-33(18-28(35)36)17-25-15-32-19-34(25)16-20-7-8-21(14-31)27(11-20)37-26-6-2-4-23(30)13-26/h1-8,11-13,15,19H,9-10,16-18H2
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n/an/a 93n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100006
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C28H24ClN5O2/c29-23-5-4-6-24(14-23)34-12-11-32(19-28(34)35)18-25-16-31-20-33(25)17-21-9-10-22(15-30)27(13-21)36-26-7-2-1-3-8-26/h1-10,13-14,16,20H,11-12,17-19H2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100000
PNG
(1-(4-Chloro-phenyl)-4-[3-(3-phenoxy-benzyl)-3H-imi...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cncn2Cc2cccc(Oc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C27H25ClN4O2/c28-22-9-11-23(12-10-22)32-14-13-30(19-27(32)33)18-24-16-29-20-31(24)17-21-5-4-8-26(15-21)34-25-6-2-1-3-7-25/h1-12,15-16,20H,13-14,17-19H2
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n/an/a 136n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099995
PNG
(4-((1-(3-phenoxybenzyl)-1H-imidazol-5-yl)methyl)-1...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(Cc2cncn2Cc2cccc(Oc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C28H25F3N4O2/c29-28(30,31)22-9-11-23(12-10-22)35-14-13-33(19-27(35)36)18-24-16-32-20-34(24)17-21-5-4-8-26(15-21)37-25-6-2-1-3-7-25/h1-12,15-16,20H,13-14,17-19H2
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n/an/a 155n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099996
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Sc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C28H24ClN5OS/c29-23-5-4-6-24(14-23)34-12-11-32(19-28(34)35)18-25-16-31-20-33(25)17-21-9-10-22(15-30)27(13-21)36-26-7-2-1-3-8-26/h1-10,13-14,16,20H,11-12,17-19H2
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n/an/a 255n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100005
PNG
(2-(4-Benzyloxy-phenoxy)-4-{5-[4-(3-chloro-phenyl)-...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccc(OCc4ccccc4)cc3)c2)CC1=O
Show InChI InChI=1S/C35H30ClN5O3/c36-29-7-4-8-30(18-29)41-16-15-39(23-35(41)42)22-31-20-38-25-40(31)21-27-9-10-28(19-37)34(17-27)44-33-13-11-32(12-14-33)43-24-26-5-2-1-3-6-26/h1-14,17-18,20,25H,15-16,21-24H2
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n/an/a 311n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100003
PNG
(2-(4-Chloro-phenoxy)-4-{5-[4-(3-chloro-phenyl)-3-o...)
Show SMILES Clc1ccc(Oc2cc(Cn3cncc3CN3CCN(C(=O)C3)c3cccc(Cl)c3)ccc2C#N)cc1
Show InChI InChI=1S/C28H23Cl2N5O2/c29-22-6-8-26(9-7-22)37-27-12-20(4-5-21(27)14-31)16-34-19-32-15-25(34)17-33-10-11-35(28(36)18-33)24-3-1-2-23(30)13-24/h1-9,12-13,15,19H,10-11,16-18H2
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n/an/a 350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of a radiolabelled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100000
PNG
(1-(4-Chloro-phenyl)-4-[3-(3-phenoxy-benzyl)-3H-imi...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cncn2Cc2cccc(Oc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C27H25ClN4O2/c28-22-9-11-23(12-10-22)32-14-13-30(19-27(32)33)18-24-16-29-20-31(24)17-21-5-4-8-26(15-21)34-25-6-2-1-3-7-25/h1-12,15-16,20H,13-14,17-19H2
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n/an/a 670n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100002
PNG
(2-(2-Chloro-phenoxy)-4-{5-[4-(3-chloro-phenyl)-3-o...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccccc3Cl)c2)CC1=O
Show InChI InChI=1S/C28H23Cl2N5O2/c29-22-4-3-5-23(13-22)35-11-10-33(18-28(35)36)17-24-15-32-19-34(24)16-20-8-9-21(14-31)27(12-20)37-26-7-2-1-6-25(26)30/h1-9,12-13,15,19H,10-11,16-18H2
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n/an/a 700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100001
PNG
(5-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(Oc3ccccc3)c(c2)C#N)CC1=O
Show InChI InChI=1S/C28H24ClN5O2/c29-23-5-4-6-24(14-23)34-12-11-32(19-28(34)35)18-25-16-31-20-33(25)17-21-9-10-27(22(13-21)15-30)36-26-7-2-1-3-8-26/h1-10,13-14,16,20H,11-12,17-19H2
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n/an/a 809n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099994
PNG
(4-((5-((4-(3-chlorophenyl)-3-oxopiperazin-1-yl)met...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4ccccc4c3)c2)CC1=O
Show InChI InChI=1S/C32H26ClN5O2/c33-27-6-3-7-28(16-27)38-13-12-36(21-32(38)39)20-29-18-35-22-37(29)19-23-8-9-26(17-34)31(14-23)40-30-11-10-24-4-1-2-5-25(24)15-30/h1-11,14-16,18,22H,12-13,19-21H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099999
PNG
(1-(3-Chloro-phenyl)-4-[3-(3-phenoxy-benzyl)-3H-imi...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2cccc(Oc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C27H25ClN4O2/c28-22-7-5-8-23(15-22)32-13-12-30(19-27(32)33)18-24-16-29-20-31(24)17-21-6-4-11-26(14-21)34-25-9-2-1-3-10-25/h1-11,14-16,20H,12-13,17-19H2
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n/an/a 1.23E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100004
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES OCCOc1cccc(Oc2cc(Cn3cncc3CN3CCN(C(=O)C3)c3cccc(Cl)c3)ccc2C#N)c1
Show InChI InChI=1S/C30H28ClN5O4/c31-24-3-1-4-25(14-24)36-10-9-34(20-30(36)38)19-26-17-33-21-35(26)18-22-7-8-23(16-32)29(13-22)40-28-6-2-5-27(15-28)39-12-11-37/h1-8,13-15,17,21,37H,9-12,18-20H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50097071
PNG
(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100004
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES OCCOc1cccc(Oc2cc(Cn3cncc3CN3CCN(C(=O)C3)c3cccc(Cl)c3)ccc2C#N)c1
Show InChI InChI=1S/C30H28ClN5O4/c31-24-3-1-4-25(14-24)36-10-9-34(20-30(36)38)19-26-17-33-21-35(26)18-22-7-8-23(16-32)29(13-22)40-28-6-2-5-27(15-28)39-12-11-37/h1-8,13-15,17,21,37H,9-12,18-20H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099998
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4CCCCc4c3)c2)CC1=O
Show InChI InChI=1S/C32H30ClN5O2/c33-27-6-3-7-28(16-27)38-13-12-36(21-32(38)39)20-29-18-35-22-37(29)19-23-8-9-26(17-34)31(14-23)40-30-11-10-24-4-1-2-5-25(24)15-30/h3,6-11,14-16,18,22H,1-2,4-5,12-13,19-21H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099997
PNG
(2-(3-Chloro-phenoxy)-4-{5-[4-(3-chloro-phenyl)-3-o...)
Show SMILES Clc1cccc(Oc2cc(Cn3cncc3CN3CCN(C(=O)C3)c3cccc(Cl)c3)ccc2C#N)c1
Show InChI InChI=1S/C28H23Cl2N5O2/c29-22-3-1-5-24(12-22)35-10-9-33(18-28(35)36)17-25-15-32-19-34(25)16-20-7-8-21(14-31)27(11-20)37-26-6-2-4-23(30)13-26/h1-8,11-13,15,19H,9-10,16-18H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099995
PNG
(4-((1-(3-phenoxybenzyl)-1H-imidazol-5-yl)methyl)-1...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(Cc2cncn2Cc2cccc(Oc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C28H25F3N4O2/c29-28(30,31)22-9-11-23(12-10-22)35-14-13-33(19-27(35)36)18-24-16-32-20-34(24)17-21-5-4-8-26(15-21)37-25-6-2-1-3-7-25/h1-12,15-16,20H,13-14,17-19H2
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n/an/a 5.77E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100006
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C28H24ClN5O2/c29-23-5-4-6-24(14-23)34-12-11-32(19-28(34)35)18-25-16-31-20-33(25)17-21-9-10-22(15-30)27(13-21)36-26-7-2-1-3-8-26/h1-10,13-14,16,20H,11-12,17-19H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100002
PNG
(2-(2-Chloro-phenoxy)-4-{5-[4-(3-chloro-phenyl)-3-o...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccccc3Cl)c2)CC1=O
Show InChI InChI=1S/C28H23Cl2N5O2/c29-22-4-3-5-23(13-22)35-11-10-33(18-28(35)36)17-24-15-32-19-34(24)16-20-8-9-21(14-31)27(12-20)37-26-7-2-1-6-25(26)30/h1-9,12-13,15,19H,10-11,16-18H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099993
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3cccnc3)c2)CC1=O
Show InChI InChI=1S/C27H23ClN6O2/c28-22-3-1-4-23(12-22)34-10-9-32(18-27(34)35)17-24-14-31-19-33(24)16-20-6-7-21(13-29)26(11-20)36-25-5-2-8-30-15-25/h1-8,11-12,14-15,19H,9-10,16-18H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099996
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Sc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C28H24ClN5OS/c29-23-5-4-6-24(14-23)34-12-11-32(19-28(34)35)18-25-16-31-20-33(25)17-21-9-10-22(15-30)27(13-21)36-26-7-2-1-3-8-26/h1-10,13-14,16,20H,11-12,17-19H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100003
PNG
(2-(4-Chloro-phenoxy)-4-{5-[4-(3-chloro-phenyl)-3-o...)
Show SMILES Clc1ccc(Oc2cc(Cn3cncc3CN3CCN(C(=O)C3)c3cccc(Cl)c3)ccc2C#N)cc1
Show InChI InChI=1S/C28H23Cl2N5O2/c29-22-6-8-26(9-7-22)37-27-12-20(4-5-21(27)14-31)16-34-19-32-15-25(34)17-33-10-11-35(28(36)18-33)24-3-1-2-23(30)13-24/h1-9,12-13,15,19H,10-11,16-18H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100006
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C28H24ClN5O2/c29-23-5-4-6-24(14-23)34-12-11-32(19-28(34)35)18-25-16-31-20-33(25)17-21-9-10-22(15-30)27(13-21)36-26-7-2-1-3-8-26/h1-10,13-14,16,20H,11-12,17-19H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099996
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Sc3ccccc3)c2)CC1=O
Show InChI InChI=1S/C28H24ClN5OS/c29-23-5-4-6-24(14-23)34-12-11-32(19-28(34)35)18-25-16-31-20-33(25)17-21-9-10-22(15-30)27(13-21)36-26-7-2-1-3-8-26/h1-10,13-14,16,20H,11-12,17-19H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100003
PNG
(2-(4-Chloro-phenoxy)-4-{5-[4-(3-chloro-phenyl)-3-o...)
Show SMILES Clc1ccc(Oc2cc(Cn3cncc3CN3CCN(C(=O)C3)c3cccc(Cl)c3)ccc2C#N)cc1
Show InChI InChI=1S/C28H23Cl2N5O2/c29-22-6-8-26(9-7-22)37-27-12-20(4-5-21(27)14-31)16-34-19-32-15-25(34)17-33-10-11-35(28(36)18-33)24-3-1-2-23(30)13-24/h1-9,12-13,15,19H,10-11,16-18H2
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099997
PNG
(2-(3-Chloro-phenoxy)-4-{5-[4-(3-chloro-phenyl)-3-o...)
Show SMILES Clc1cccc(Oc2cc(Cn3cncc3CN3CCN(C(=O)C3)c3cccc(Cl)c3)ccc2C#N)c1
Show InChI InChI=1S/C28H23Cl2N5O2/c29-22-3-1-5-24(12-22)35-10-9-33(18-28(35)36)17-25-15-32-19-34(25)16-20-7-8-21(14-31)27(11-20)37-26-6-2-4-23(30)13-26/h1-8,11-13,15,19H,9-10,16-18H2
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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 inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100005
PNG
(2-(4-Benzyloxy-phenoxy)-4-{5-[4-(3-chloro-phenyl)-...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccc(OCc4ccccc4)cc3)c2)CC1=O
Show InChI InChI=1S/C35H30ClN5O3/c36-29-7-4-8-30(18-29)41-16-15-39(23-35(41)42)22-31-20-38-25-40(31)21-27-9-10-28(19-37)34(17-27)44-33-13-11-32(12-14-33)43-24-26-5-2-1-3-6-26/h1-14,17-18,20,25H,15-16,21-24H2
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n/an/a 3.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099993
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3cccnc3)c2)CC1=O
Show InChI InChI=1S/C27H23ClN6O2/c28-22-3-1-4-23(12-22)34-10-9-32(18-27(34)35)17-24-14-31-19-33(24)16-20-6-7-21(13-29)26(11-20)36-25-5-2-8-30-15-25/h1-8,11-12,14-15,19H,9-10,16-18H2
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n/an/a 5.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50100005
PNG
(2-(4-Benzyloxy-phenoxy)-4-{5-[4-(3-chloro-phenyl)-...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccc(OCc4ccccc4)cc3)c2)CC1=O
Show InChI InChI=1S/C35H30ClN5O3/c36-29-7-4-8-30(18-29)41-16-15-39(23-35(41)42)22-31-20-38-25-40(31)21-27-9-10-28(19-37)34(17-27)44-33-13-11-32(12-14-33)43-24-26-5-2-1-3-6-26/h1-14,17-18,20,25H,15-16,21-24H2
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n/an/a 6.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50097071
PNG
(4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]MET...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1=O
Show InChI InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2
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n/an/a 9.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099994
PNG
(4-((5-((4-(3-chlorophenyl)-3-oxopiperazin-1-yl)met...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4ccccc4c3)c2)CC1=O
Show InChI InChI=1S/C32H26ClN5O2/c33-27-6-3-7-28(16-27)38-13-12-36(21-32(38)39)20-29-18-35-22-37(29)19-23-8-9-26(17-34)31(14-23)40-30-11-10-24-4-1-2-5-25(24)15-30/h1-11,14-16,18,22H,12-13,19-21H2
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n/an/a 1.99E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (human))
BDBM50099998
PNG
(4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazin-1-ylmeth...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4CCCCc4c3)c2)CC1=O
Show InChI InChI=1S/C32H30ClN5O2/c33-27-6-3-7-28(16-27)38-13-12-36(21-32(38)39)20-29-18-35-22-37(29)19-23-8-9-26(17-34)31(14-23)40-30-11-10-24-4-1-2-5-25(24)15-30/h3,6-11,14-16,18,22H,1-2,4-5,12-13,19-21H2
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n/an/a 2.90E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biot...


Bioorg Med Chem Lett 11: 1411-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00240-2
BindingDB Entry DOI: 10.7270/Q2MP52J0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%