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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'gibbs' and Initial = 'ra'   
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
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)
BDBM50174225
PNG
(((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylsul...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6](-[#8-])=O
Show InChI InChI=1S/C17H28O2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-20-13-17(18)19/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)/p-1/b15-9+,16-11+
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4.60E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase


Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)
BDBM50174226
PNG
(2-acetamido-3-[(2E,6E,10E)-3,7,11,15-tetramethylhe...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]S(=O)[#6]-[#6](-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O
Show InChI InChI=1S/C25H41NO4S/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-31(30)18-24(25(28)29)26-23(6)27/h10,12,14,16,24H,7-9,11,13,15,17-18H2,1-6H3,(H,26,27)(H,28,29)/p-1/b20-12+,21-14+,22-16+
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1.32E+4n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase


Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)
BDBM50174224
PNG
((R)-2-Acetylamino-3-[(2Z,6E)-7,11-dimethyl-3-(3-me...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O
Show InChI InChI=1S/C24H39NO3S/c1-18(2)9-7-10-20(5)11-8-12-22(14-13-19(3)4)15-16-29-17-23(24(27)28)25-21(6)26/h9,11,13,15,23H,7-8,10,12,14,16-17H2,1-6H3,(H,25,26)(H,27,28)/p-1/b20-11+,22-15-/t23-/m0/s1
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1.71E+4n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase


Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50090637
PNG
((2Z,6E)-7,11-dimethyl-3-(prop-1-en-2-yl)dodeca-2,6...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)-[#6](-[#6])=[#6]
Show InChI InChI=1S/C17H30O7P2/c1-14(2)8-6-9-16(5)10-7-11-17(15(3)4)12-13-23-26(21,22)24-25(18,19)20/h8,10,12H,3,6-7,9,11,13H2,1-2,4-5H3,(H,21,22)(H2,18,19,20)/p-3/b16-10+,17-12-
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n/an/a 18n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 1763-6 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ66KR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081229
PNG
(10-(tert-butyl)-2,6-dimethyl-(6E,10Z)-2,6,10-dodec...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)C([#6])([#6])[#6]
Show InChI InChI=1S/C18H34O7P2/c1-15(2)9-7-10-16(3)11-8-12-17(18(4,5)6)13-14-24-27(22,23)25-26(19,20)21/h9,11,13H,7-8,10,12,14H2,1-6H3,(H,22,23)(H2,19,20,21)/p-3/b16-11+,17-13-
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n/an/a 31n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant farnesyltransferase (mFTase) in scintillation proximity assay


J Med Chem 42: 3800-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89D3S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081229
PNG
(10-(tert-butyl)-2,6-dimethyl-(6E,10Z)-2,6,10-dodec...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)C([#6])([#6])[#6]
Show InChI InChI=1S/C18H34O7P2/c1-15(2)9-7-10-16(3)11-8-12-17(18(4,5)6)13-14-24-27(22,23)25-26(19,20)21/h9,11,13H,7-8,10,12,14H2,1-6H3,(H,22,23)(H2,19,20,21)/p-3/b16-11+,17-13-
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n/an/a 31n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 1763-6 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ66KR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50090639
PNG
((2Z,6E)-7,11-dimethyl-3-(propan-2-yl)dodeca-2,6,10...)
Show SMILES [#6]-[#6](-[#6])-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C17H32O7P2/c1-14(2)8-6-9-16(5)10-7-11-17(15(3)4)12-13-23-26(21,22)24-25(18,19)20/h8,10,12,15H,6-7,9,11,13H2,1-5H3,(H,21,22)(H2,18,19,20)/p-3/b16-10+,17-12-
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n/an/a 35n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 1763-6 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ66KR
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50100979
PNG
(Phosphoric acid di-((2Z,6E,10E)-3,7,11,15-tetramet...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b18-11+,19-13+,20-15-
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n/an/a 100n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.


Bioorg Med Chem Lett 11: 1605-8 (2001)


BindingDB Entry DOI: 10.7270/Q26W9BM2
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50090636
PNG
((2Z,6E)-3-(butan-2-yl)-7,11-dimethyldodeca-2,6,10-...)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C18H34O7P2/c1-6-17(5)18(12-8-11-16(4)10-7-9-15(2)3)13-14-24-27(22,23)25-26(19,20)21/h9,11,13,17H,6-8,10,12,14H2,1-5H3,(H,22,23)(H2,19,20,21)/p-3/b16-11+,18-13-
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n/an/a 102n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 1763-6 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ66KR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081235
PNG
(3-substituted farnesyl diphosphate analogue | 4-[(...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]-[#6]=[#6])=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C17H30O7P2/c1-5-8-17(12-7-11-16(4)10-6-9-15(2)3)13-14-23-26(21,22)24-25(18,19)20/h5,9,11,13H,1,6-8,10,12,14H2,2-4H3,(H,21,22)(H2,18,19,20)/p-3/b16-11+,17-13+
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n/an/a 119n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 1763-6 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ66KR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081234
PNG
(3-[(Z)-ethylidene]-7,11-dimethyl-(6E)-1,6,10-dodec...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]=[#6])=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C16H28O7P2/c1-5-16(11-7-10-15(4)9-6-8-14(2)3)12-13-22-25(20,21)23-24(17,18)19/h5,8,10,12H,1,6-7,9,11,13H2,2-4H3,(H,20,21)(H2,17,18,19)/p-3/b15-10+,16-12+
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n/an/a 173n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant farnesyltransferase (mFTase) in scintillation proximity assay


J Med Chem 42: 3800-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89D3S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081234
PNG
(3-[(Z)-ethylidene]-7,11-dimethyl-(6E)-1,6,10-dodec...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]=[#6])=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C16H28O7P2/c1-5-16(11-7-10-15(4)9-6-8-14(2)3)12-13-22-25(20,21)23-24(17,18)19/h5,8,10,12H,1,6-7,9,11,13H2,2-4H3,(H,20,21)(H2,17,18,19)/p-3/b15-10+,16-12+
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n/an/a 173n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 1763-6 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ66KR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081235
PNG
(3-substituted farnesyl diphosphate analogue | 4-[(...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]-[#6]=[#6])=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C17H30O7P2/c1-5-8-17(12-7-11-16(4)10-6-9-15(2)3)13-14-23-26(21,22)24-25(18,19)20/h5,9,11,13H,1,6-8,10,12,14H2,2-4H3,(H,21,22)(H2,18,19,20)/p-3/b16-11+,17-13+
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n/an/a 189n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant farnesyltransferase (mFTase) in scintillation proximity assay


J Med Chem 42: 3800-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89D3S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081227
PNG
(10-ethyl-2,6-dimethyl-(6E,10E)-2,6,10-dodecatriene...)
Show SMILES [#6]-[#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]/[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C16H30O7P2/c1-5-16(11-7-10-15(4)9-6-8-14(2)3)12-13-22-25(20,21)23-24(17,18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,20,21)(H2,17,18,19)/p-3/b15-10+,16-12+
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n/an/a 215n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant farnesyltransferase (mFTase) in scintillation proximity assay


J Med Chem 42: 3800-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89D3S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50090642
PNG
((2Z,6E)-7,11-dimethyl-3-(2-methylpropyl)dodeca-2,6...)
Show SMILES [#6]-[#6](-[#6])-[#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]/[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C18H34O7P2/c1-15(2)8-6-9-17(5)10-7-11-18(14-16(3)4)12-13-24-27(22,23)25-26(19,20)21/h8,10,12,16H,6-7,9,11,13-14H2,1-5H3,(H,22,23)(H2,19,20,21)/p-3/b17-10+,18-12-
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n/an/a 290n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 1763-6 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ66KR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081226
PNG
(1-[1-[(Z)-ethylidene]-5,9-dimethyl-(4E)-4,8-decadi...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)-c1ccccc1
Show InChI InChI=1S/C20H30O7P2/c1-17(2)9-7-10-18(3)11-8-14-20(19-12-5-4-6-13-19)15-16-26-29(24,25)27-28(21,22)23/h4-6,9,11-13,15H,7-8,10,14,16H2,1-3H3,(H,24,25)(H2,21,22,23)/p-3/b18-11+,20-15-
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n/an/a 299n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant farnesyltransferase (mFTase) in scintillation proximity assay


J Med Chem 42: 3800-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89D3S
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50100978
PNG
(Phosphoric acid di-((2E,6Z,10E)-3,7,11,15-tetramet...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b18-11+,19-13-,20-15+
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Wayne State University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.


Bioorg Med Chem Lett 11: 1605-8 (2001)


BindingDB Entry DOI: 10.7270/Q26W9BM2
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50090638
PNG
((2E,6E)-7,11-dimethyl-3-propyldodeca-2,6,10-trien-...)
Show SMILES [#6]-[#6]-[#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C17H32O7P2/c1-5-8-17(12-7-11-16(4)10-6-9-15(2)3)13-14-23-26(21,22)24-25(18,19)20/h9,11,13H,5-8,10,12,14H2,1-4H3,(H,21,22)(H2,18,19,20)/p-3/b16-11+,17-13+
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n/an/a 453n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 1763-6 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ66KR
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081238
PNG
(4-[(Z)-ethylidene]-8,12,16-trimethyl-(7E,11E)-1,7,...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]-[#6]=[#6])=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C22H38O7P2/c1-6-10-22(17-18-28-31(26,27)29-30(23,24)25)16-9-15-21(5)14-8-13-20(4)12-7-11-19(2)3/h6,11,13,15,17H,1,7-10,12,14,16,18H2,2-5H3,(H,26,27)(H2,23,24,25)/p-3/b20-13+,21-15+,22-17+
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n/an/a 453n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant farnesyltransferase (mFTase) in scintillation proximity assay


J Med Chem 42: 3800-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89D3S
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM50094876
PNG
(CHEMBL3589129)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(CCCc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O |r|
Show InChI InChI=1/C34H47N9O6/c1-22(2)16-26(31(36)46)38-32(47)27(17-24-12-7-4-8-13-24)39-33(48)28(40-34(49)29(21-44)37-30(45)18-35)20-43-19-25(41-42-43)15-9-14-23-10-5-3-6-11-23/h3-8,10-13,19,22,26-29,44H,9,14-18,20-21,35H2,1-2H3,(H2,36,46)(H,37,45)(H,38,47)(H,39,48)(H,40,49)/t26-,27-,28-,29-/s2
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n/an/a 700n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human GOAT octanoylation activity expressed in insect Sf9 cell membranes using GSSFLCAcDan as substrate after 1 hr by reverse phase HPL...


Bioorg Med Chem Lett 25: 2800-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.009
BindingDB Entry DOI: 10.7270/Q2F47QW1
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081233
PNG
(3-[(Z)-ethylidene]-7,11,15-trimethyl-(6E,10E)-1,6,...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]=[#6])=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C21H36O7P2/c1-6-21(16-17-27-30(25,26)28-29(22,23)24)15-9-14-20(5)13-8-12-19(4)11-7-10-18(2)3/h6,10,12,14,16H,1,7-9,11,13,15,17H2,2-5H3,(H,25,26)(H2,22,23,24)/p-3/b19-12+,20-14+,21-16+
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n/an/a 715n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant farnesyltransferase (mFTase) in scintillation proximity assay


J Med Chem 42: 3800-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89D3S
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50384449
PNG
(CHEMBL2035530)
Show SMILES COC(=O)CCSC\C=C(/C)CCn1cc(CCc2ccc(cc2)-c2ccccc2)nn1
Show InChI InChI=1S/C26H31N3O2S/c1-21(15-18-32-19-16-26(30)31-2)14-17-29-20-25(27-28-29)13-10-22-8-11-24(12-9-22)23-6-4-3-5-7-23/h3-9,11-12,15,20H,10,13-14,16-19H2,1-2H3/b21-15+
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ICMT in cell free system


ACS Med Chem Lett 3: 15-19 (2012)


Article DOI: 10.1021/ml200106d
BindingDB Entry DOI: 10.7270/Q26T0NPK
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM50094875
PNG
(CHEMBL3589130)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(CCCCc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O |r|
Show InChI InChI=1/C35H49N9O6/c1-23(2)17-27(32(37)47)39-33(48)28(18-25-14-7-4-8-15-25)40-34(49)29(41-35(50)30(22-45)38-31(46)19-36)21-44-20-26(42-43-44)16-10-9-13-24-11-5-3-6-12-24/h3-8,11-12,14-15,20,23,27-30,45H,9-10,13,16-19,21-22,36H2,1-2H3,(H2,37,47)(H,38,46)(H,39,48)(H,40,49)(H,41,50)/t27-,28-,29-,30-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human GOAT octanoylation activity expressed in insect Sf9 cell membranes using GSSFLCAcDan as substrate after 1 hr by reverse phase HPL...


Bioorg Med Chem Lett 25: 2800-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.009
BindingDB Entry DOI: 10.7270/Q2F47QW1
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50113055
PNG
([4-((E)-4-(diphosphoxy)-2-methyl-but-2-enyloxymeth...)
Show SMILES C\C(COCc1ccc(cc1)C(=O)c1ccccc1)=C/COP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/C19H22O9P2/c1-15(11-12-27-30(24,25)28-29(21,22)23)13-26-14-16-7-9-18(10-8-16)19(20)17-5-3-2-4-6-17/h2-11H,12-14H2,1H3,(H,24,25)(H2,21,22,23)/p-3/b15-11+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1417-20 (2002)


BindingDB Entry DOI: 10.7270/Q2QF8TDZ
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)
BDBM50174223
PNG
(2-(3-Octyl-6-phenyl-indol-1-yl)-acetamide | CHEMBL...)
Show SMILES CCCCCCCCc1cn(CC(N)=O)c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-2-3-4-5-6-8-13-21-17-26(18-24(25)27)23-16-20(14-15-22(21)23)19-11-9-7-10-12-19/h7,9-12,14-17H,2-6,8,13,18H2,1H3,(H2,25,27)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase; 0.2 - 2.4 uM


Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363182
PNG
(CHEMBL1946584)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]\[#6](-[#6]-[#6]-c1ccc(cc1)-c1ccccc1)=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C38H39NO4S/c1-28(2)17-18-30(20-19-29-21-23-32(24-22-29)31-11-5-3-6-12-31)25-26-44-27-35(38(41)42)39-37(40)34-15-9-10-16-36(34)43-33-13-7-4-8-14-33/h3-17,21-25,35H,18-20,26-27H2,1-2H3,(H,39,40)(H,41,42)/b30-25-/t35-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50384447
PNG
(CHEMBL2035745)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]\[#6](-[#6]-[#6]-c1ccc(cc1)-c1ccccc1)=[#6]/[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C38H39NO4S/c1-28(2)17-18-30(20-19-29-21-23-32(24-22-29)31-11-5-3-6-12-31)25-26-44-27-35(38(41)42)39-37(40)34-15-9-10-16-36(34)43-33-13-7-4-8-14-33/h3-17,21-25,35H,18-20,26-27H2,1-2H3,(H,39,40)(H,41,42)/b30-25+/t35-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ICMT in cell free system


ACS Med Chem Lett 3: 15-19 (2012)


Article DOI: 10.1021/ml200106d
BindingDB Entry DOI: 10.7270/Q26T0NPK
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081233
PNG
(3-[(Z)-ethylidene]-7,11,15-trimethyl-(6E,10E)-1,6,...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]=[#6])=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C21H36O7P2/c1-6-21(16-17-27-30(25,26)28-29(22,23)24)15-9-14-20(5)13-8-12-19(4)11-7-10-18(2)3/h6,10,12,14,16H,1,7-9,11,13,15,17H2,2-5H3,(H,25,26)(H2,22,23,24)/p-3/b19-12+,20-14+,21-16+
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n/an/a 3.05E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant Geranylgeranyl transferase type I in scintillation proximity assay


J Med Chem 42: 3800-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89D3S
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50081238
PNG
(4-[(Z)-ethylidene]-8,12,16-trimethyl-(7E,11E)-1,7,...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]-[#6]=[#6])=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C22H38O7P2/c1-6-10-22(17-18-28-31(26,27)29-30(23,24)25)16-9-15-21(5)14-8-13-20(4)12-7-11-19(2)3/h6,11,13,15,17H,1,7-10,12,14,16,18H2,2-5H3,(H,26,27)(H2,23,24,25)/p-3/b20-13+,21-15+,22-17+
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n/an/a 3.38E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant Geranylgeranyl transferase type I in scintillation proximity assay


J Med Chem 42: 3800-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89D3S
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM50094874
PNG
(CHEMBL3589131)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(CCc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O |r|
Show InChI InChI=1/C33H45N9O6/c1-21(2)15-25(30(35)45)37-31(46)26(16-23-11-7-4-8-12-23)38-32(47)27(39-33(48)28(20-43)36-29(44)17-34)19-42-18-24(40-41-42)14-13-22-9-5-3-6-10-22/h3-12,18,21,25-28,43H,13-17,19-20,34H2,1-2H3,(H2,35,45)(H,36,44)(H,37,46)(H,38,47)(H,39,48)/t25-,26-,27-,28-/s2
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n/an/a 3.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human GOAT octanoylation activity expressed in insect Sf9 cell membranes using GSSFLCAcDan as substrate after 1 hr by reverse phase HPL...


Bioorg Med Chem Lett 25: 2800-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.009
BindingDB Entry DOI: 10.7270/Q2F47QW1
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50113054
PNG
((E)-3-Methyl-5-naphthalen-2-yl-pent-2-en-1-diphosp...)
Show SMILES C\C(CCc1ccc2ccccc2c1)=C/COP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/C16H20O7P2/c1-13(10-11-22-25(20,21)23-24(17,18)19)6-7-14-8-9-15-4-2-3-5-16(15)12-14/h2-5,8-10,12H,6-7,11H2,1H3,(H,20,21)(H2,17,18,19)/p-3/b13-10+
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n/an/a 5.40E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1417-20 (2002)


BindingDB Entry DOI: 10.7270/Q2QF8TDZ
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM50094877
PNG
(CHEMBL3589128)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(Cc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O |r|
Show InChI InChI=1/C32H43N9O6/c1-20(2)13-24(29(34)44)36-30(45)25(15-22-11-7-4-8-12-22)37-31(46)26(38-32(47)27(19-42)35-28(43)16-33)18-41-17-23(39-40-41)14-21-9-5-3-6-10-21/h3-12,17,20,24-27,42H,13-16,18-19,33H2,1-2H3,(H2,34,44)(H,35,43)(H,36,45)(H,37,46)(H,38,47)/t24-,25-,26-,27-/s2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human GOAT octanoylation activity expressed in insect Sf9 cell membranes using GSSFLCAcDan as substrate after 1 hr by reverse phase HPL...


Bioorg Med Chem Lett 25: 2800-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.009
BindingDB Entry DOI: 10.7270/Q2F47QW1
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363181
PNG
(CHEMBL1946583)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C31H39NO4S/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-37-22-28(31(34)35)32-30(33)27-18-8-9-19-29(27)36-26-16-6-5-7-17-26/h5-9,12,14,16-20,28H,10-11,13,15,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-14+,25-20+/t28-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50090641
PNG
((2Z,6E)-3-(2,2-dimethylpropyl)-7,11-dimethyldodeca...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]C([#6])([#6])[#6])=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O
Show InChI InChI=1S/C19H36O7P2/c1-16(2)9-7-10-17(3)11-8-12-18(15-19(4,5)6)13-14-25-28(23,24)26-27(20,21)22/h9,11,13H,7-8,10,12,14-15H2,1-6H3,(H,23,24)(H2,20,21,22)/p-3/b17-11+,18-13-
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n/an/a 6.60E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 1763-6 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ66KR
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363194
PNG
(CHEMBL1946775)
Show SMILES [#6]-[#7](-[#6@@H](-[#6]-[#16]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](=O)-c1ccccc1-[#8]-c1ccccc1 |r|
Show InChI InChI=1S/C32H41NO4S/c1-24(2)13-11-14-25(3)15-12-16-26(4)21-22-38-23-29(32(35)36)33(5)31(34)28-19-9-10-20-30(28)37-27-17-7-6-8-18-27/h6-10,13,15,17-21,29H,11-12,14,16,22-23H2,1-5H3,(H,35,36)/b25-15+,26-21+/t29-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363191
PNG
(CHEMBL1946593)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C31H39NO4S/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-37-22-28(31(34)35)32-30(33)27-18-8-9-19-29(27)36-26-16-6-5-7-17-26/h5-9,12,14,16-20,28H,10-11,13,15,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-14+,25-20+/t28-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50342746
PNG
(2-thienyl-sulfonamido-farnesylcysteine | CHEMBL177...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]S(=O)(=O)c1cccs1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C22H33NO4S3/c1-17(2)8-5-9-18(3)10-6-11-19(4)13-15-28-16-20(22(24)25)23-30(26,27)21-12-7-14-29-21/h7-8,10,12-14,20,23H,5-6,9,11,15-16H2,1-4H3,(H,24,25)/b18-10+,19-13+/t20-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50090640
PNG
(3-substituted farnesyl diphosphate analogue | {[(2...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=O)-c1ccc(F)cc1
Show InChI InChI=1S/C20H29FO7P2/c1-16(2)6-4-7-17(3)8-5-9-18(19-10-12-20(21)13-11-19)14-15-27-30(25,26)28-29(22,23)24/h6,8,10-14H,4-5,7,9,15H2,1-3H3,(H,25,26)(H2,22,23,24)/p-3/b17-8+,18-14-
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n/an/a 1.01E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 1763-6 (2000)


BindingDB Entry DOI: 10.7270/Q2BZ66KR
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50342745
PNG
((R)-2-(5-(dimethylamino)naphthalene-1-sulfonamido)...)
Show SMILES [#6]-[#7](-[#6])-c1cccc2c(cccc12)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#16]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C30H42N2O4S2/c1-22(2)11-7-12-23(3)13-8-14-24(4)19-20-37-21-27(30(33)34)31-38(35,36)29-18-10-15-25-26(29)16-9-17-28(25)32(5)6/h9-11,13,15-19,27,31H,7-8,12,14,20-21H2,1-6H3,(H,33,34)/b23-13+,24-19+/t27-/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50189242
PNG
((R)-2-[(adamantane-1-carbonyl)-amino]-3-(3,7,11-tr...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](-[#8])=O |TLB:19:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,19:21:24.23.28:26|
Show InChI InChI=1S/C29H45NO3S/c1-20(2)7-5-8-21(3)9-6-10-22(4)11-12-34-19-26(27(31)32)30-28(33)29-16-23-13-24(17-29)15-25(14-23)18-29/h7,9,11,23-26H,5-6,8,10,12-19H2,1-4H3,(H,30,33)(H,31,32)/b21-9+,22-11+/t23?,24?,25?,26-,29?/m0/s1
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n/an/a 1.24E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Icmt by methanol vapour diffusion assay


Bioorg Med Chem Lett 16: 4420-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.029
BindingDB Entry DOI: 10.7270/Q27D2TRG
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363189
PNG
(CHEMBL1946591)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C32H41NO4S/c1-24(2)12-10-13-25(3)14-11-15-26(4)20-21-38-23-29(32(35)36)33-31(34)28-18-8-9-19-30(28)37-22-27-16-6-5-7-17-27/h5-9,12,14,16-20,29H,10-11,13,15,21-23H2,1-4H3,(H,33,34)(H,35,36)/b25-14+,26-20+/t29-/m0/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50342747
PNG
(3-nitrophenyl-sulfonamido-farnesylcysteine | CHEMB...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]S(=O)(=O)c1cccc(c1)-[#7+](-[#8-])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C24H34N2O6S2/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-33-17-23(24(27)28)25-34(31,32)22-13-7-12-21(16-22)26(29)30/h7-8,10,12-14,16,23,25H,5-6,9,11,15,17H2,1-4H3,(H,27,28)/b19-10+,20-14+/t23-/m0/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)
BDBM50174224
PNG
((R)-2-Acetylamino-3-[(2Z,6E)-7,11-dimethyl-3-(3-me...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O
Show InChI InChI=1S/C24H39NO3S/c1-18(2)9-7-10-20(5)11-8-12-22(14-13-19(3)4)15-16-29-17-23(24(27)28)25-21(6)26/h9,11,13,15,23H,7-8,10,12,14,16-17H2,1-6H3,(H,25,26)(H,27,28)/p-1/b20-11+,22-15-/t23-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase by Casey method; Range 7 - 14 uM


Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50189239
PNG
((R)-2-(3,5-dinitrobenzamido)-3-(3,7,11-trimethyldo...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1cc(cc(c1)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C25H33N3O7S/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-36-16-23(25(30)31)26-24(29)20-13-21(27(32)33)15-22(14-20)28(34)35/h7,9,11,13-15,23H,5-6,8,10,12,16H2,1-4H3,(H,26,29)(H,30,31)/b18-9+,19-11+/t23-/m0/s1
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n/an/a 1.43E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Icmt by methanol vapour diffusion assay


Bioorg Med Chem Lett 16: 4420-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.029
BindingDB Entry DOI: 10.7270/Q27D2TRG
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50363186
PNG
(CHEMBL1946588)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#16]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C31H39NO3S2/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-36-22-28(31(34)35)32-30(33)27-18-8-9-19-29(27)37-26-16-6-5-7-17-26/h5-9,12,14,16-20,28H,10-11,13,15,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-14+,25-20+/t28-/m0/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...


Bioorg Med Chem 20: 283-95 (2011)


Article DOI: 10.1016/j.bmc.2011.10.087
BindingDB Entry DOI: 10.7270/Q2QZ2BD2
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50342748
PNG
(4-fluoro-phenyl-sulfonamido-farnesylcysteine | CHE...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]S(=O)(=O)c1ccc(F)cc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C24H34FNO4S2/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-31-17-23(24(27)28)26-32(29,30)22-13-11-21(25)12-14-22/h7,9,11-15,23,26H,5-6,8,10,16-17H2,1-4H3,(H,27,28)/b19-9+,20-15+/t23-/m0/s1
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n/an/a 1.55E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50189241
PNG
((R)-2-(4-nitrobenzamido)-3-(3,7,11-trimethyldodeca...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(cc1)-[#7+](-[#8-])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C25H34N2O5S/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-33-17-23(25(29)30)26-24(28)21-11-13-22(14-12-21)27(31)32/h7,9,11-15,23H,5-6,8,10,16-17H2,1-4H3,(H,26,28)(H,29,30)/b19-9+,20-15+/t23-/m0/s1
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n/an/a 1.66E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Icmt by methanol vapour diffusion assay


Bioorg Med Chem Lett 16: 4420-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.029
BindingDB Entry DOI: 10.7270/Q27D2TRG
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50342744
PNG
(CHEMBL1771292 | phenyl-sulfonamido-farnesylcystein...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]S(=O)(=O)c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C24H35NO4S2/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-30-18-23(24(26)27)25-31(28,29)22-14-6-5-7-15-22/h5-7,10,12,14-16,23,25H,8-9,11,13,17-18H2,1-4H3,(H,26,27)/b20-12+,21-16+/t23-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50189240
PNG
((R)-2-(2-(4-methoxyphenyl)furan-5-carboxamido)-3-(...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-c1ccc(o1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C30H39NO5S/c1-21(2)8-6-9-22(3)10-7-11-23(4)18-19-37-20-26(30(33)34)31-29(32)28-17-16-27(36-28)24-12-14-25(35-5)15-13-24/h8,10,12-18,26H,6-7,9,11,19-20H2,1-5H3,(H,31,32)(H,33,34)/b22-10+,23-18+/t26-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.74E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human Icmt by methanol vapour diffusion assay


Bioorg Med Chem Lett 16: 4420-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.029
BindingDB Entry DOI: 10.7270/Q27D2TRG
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50342743
PNG
((R)-2-(2-phenoxyphenylsulfonamido)-3-(3,7,11-trime...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]S(=O)(=O)c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C30H39NO5S2/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-37-22-27(30(32)33)31-38(34,35)29-19-9-8-18-28(29)36-26-16-6-5-7-17-26/h5-9,12,14,16-20,27,31H,10-11,13,15,21-22H2,1-4H3,(H,32,33)/b24-14+,25-20+/t27-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.84E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins ...


Bioorg Med Chem Lett 21: 2616-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.078
BindingDB Entry DOI: 10.7270/Q2348KNH
More data for this
Ligand-Target Pair
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