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PubMed code 11755366

Compile data set for download or QSAR
Found 24 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))
BDBM50108509
PNG
(5-((E)-4,8-Dimethyl-nona-3,7-dienyl)-3a,4,7,7a-tet...)
Show SMILES CC(C)=CCC\C(C)=C\CCC1=CCC2C(C1)C(=O)OC2=O
Show InChI InChI=1/C19H26O3/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-17(12-15)19(21)22-18(16)20/h6,8,10,16-17H,4-5,7,9,11-12H2,1-3H3/b14-8+
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PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108512
PNG
(5-(4,8,12-Trimethyl-tridecyl)-3a,4,7,7a-tetrahydro...)
Show SMILES CC(C)CCCC(C)CCCC(C)CCCC1=CCC2C(C1)C(=O)OC2=O
Show InChI InChI=1/C24H40O3/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-21-22(16-20)24(26)27-23(21)25/h14,17-19,21-22H,5-13,15-16H2,1-4H3
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n/an/a 2.08E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108511
PNG
(5-(4-Methyl-pent-3-enyl)-3a,4,7,7a-tetrahydro-isob...)
Show SMILES CC(C)=CCCC1=CCC2C(C1)C(=O)OC2=O
Show InChI InChI=1/C14H18O3/c1-9(2)4-3-5-10-6-7-11-12(8-10)14(16)17-13(11)15/h4,6,11-12H,3,5,7-8H2,1-2H3
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n/an/a 4.02E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059863
PNG
((Z)-2-Methyl-3-tetradecyl-but-2-enedioic acid | CH...)
Show SMILES CCCCCCCCCCCCCC\C(C(O)=O)=C(/C)C(O)=O
Show InChI InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h3-15H2,1-2H3,(H,20,21)(H,22,23)/b17-16-
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n/an/a 9.20E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108509
PNG
(5-((E)-4,8-Dimethyl-nona-3,7-dienyl)-3a,4,7,7a-tet...)
Show SMILES CC(C)=CCC\C(C)=C\CCC1=CCC2C(C1)C(=O)OC2=O
Show InChI InChI=1/C19H26O3/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-17(12-15)19(21)22-18(16)20/h6,8,10,16-17H,4-5,7,9,11-12H2,1-3H3/b14-8+
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n/an/a 1.36E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108509
PNG
(5-((E)-4,8-Dimethyl-nona-3,7-dienyl)-3a,4,7,7a-tet...)
Show SMILES CC(C)=CCC\C(C)=C\CCC1=CCC2C(C1)C(=O)OC2=O
Show InChI InChI=1/C19H26O3/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-17(12-15)19(21)22-18(16)20/h6,8,10,16-17H,4-5,7,9,11-12H2,1-3H3/b14-8+
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n/an/a 1.90E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108507
PNG
(CHEMBL420797 | dodecanoic anhydride)
Show SMILES CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
Show InChI InChI=1S/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
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n/an/a 2.29E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108510
PNG
(((E)-3-Dodec-2-enyl)-dihydro-furan-2,5-dione | CHE...)
Show SMILES CCCCCCCCC\C=C\CC1CC(=O)OC1=O
Show InChI InChI=1/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+
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n/an/a 4.01E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108514
PNG
(2-Dodec-2-enyl-succinic acid | CHEMBL441996)
Show SMILES CCCCCCCCC\C=C\CC(CC(O)=O)C(O)=O
Show InChI InChI=1/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)(H,19,20)/b11-10+
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PubMed
n/an/a 4.02E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108505
PNG
(4-[(E)-3,7-Dimethyl-octa-2,6-dien-(E)-ylidene]-cyc...)
Show SMILES CC(C)=CCC\C(C)=C\C=C1/CCC(C(C1)C(O)=O)C(O)=O
Show InChI InChI=1/C18H26O4/c1-12(2)5-4-6-13(3)7-8-14-9-10-15(17(19)20)16(11-14)18(21)22/h5,7-8,15-16H,4,6,9-11H2,1-3H3,(H,19,20)(H,21,22)/b13-7+,14-8+
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n/an/a 4.20E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108511
PNG
(5-(4-Methyl-pent-3-enyl)-3a,4,7,7a-tetrahydro-isob...)
Show SMILES CC(C)=CCCC1=CCC2C(C1)C(=O)OC2=O
Show InChI InChI=1/C14H18O3/c1-9(2)4-3-5-10-6-7-11-12(8-10)14(16)17-13(11)15/h4,6,11-12H,3,5,7-8H2,1-2H3
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n/an/a 4.49E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108509
PNG
(5-((E)-4,8-Dimethyl-nona-3,7-dienyl)-3a,4,7,7a-tet...)
Show SMILES CC(C)=CCC\C(C)=C\CCC1=CCC2C(C1)C(=O)OC2=O
Show InChI InChI=1/C19H26O3/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-17(12-15)19(21)22-18(16)20/h6,8,10,16-17H,4-5,7,9,11-12H2,1-3H3/b14-8+
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n/an/a 5.03E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of Farnesyltransferase


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108507
PNG
(CHEMBL420797 | dodecanoic anhydride)
Show SMILES CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
Show InChI InChI=1S/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
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n/an/a 8.54E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108515
PNG
(4-(4-Methyl-pent-3-enyl)-cyclohex-4-ene-1,2-dicarb...)
Show SMILES CC(C)=CCCC1=CCC(C(C1)C(O)=O)C(O)=O
Show InChI InChI=1/C14H20O4/c1-9(2)4-3-5-10-6-7-11(13(15)16)12(8-10)14(17)18/h4,6,11-12H,3,5,7-8H2,1-2H3,(H,15,16)(H,17,18)
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n/an/a 9.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108516
PNG
(4-(4,8,12-Trimethyl-tridecyl)-cyclohex-4-ene-1,2-d...)
Show SMILES COC(=O)C1CC=C(CCCC(C)CCCC(C)CCCC(C)C)CC1C(=O)OC
Show InChI InChI=1/C26H46O4/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22-16-17-23(25(27)29-5)24(18-22)26(28)30-6/h16,19-21,23-24H,7-15,17-18H2,1-6H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108515
PNG
(4-(4-Methyl-pent-3-enyl)-cyclohex-4-ene-1,2-dicarb...)
Show SMILES CC(C)=CCCC1=CCC(C(C1)C(O)=O)C(O)=O
Show InChI InChI=1/C14H20O4/c1-9(2)4-3-5-10-6-7-11(13(15)16)12(8-10)14(17)18/h4,6,11-12H,3,5,7-8H2,1-2H3,(H,15,16)(H,17,18)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108506
PNG
(4-(4,8,12-Trimethyl-tridecyl)-cyclohex-4-ene-1,2-d...)
Show SMILES CC(C)CCCC(C)CCCC(C)CCCC1=CCC(C(C1)C(O)=O)C(O)=O
Show InChI InChI=1/C24H42O4/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-21(23(25)26)22(16-20)24(27)28/h14,17-19,21-22H,5-13,15-16H2,1-4H3,(H,25,26)(H,27,28)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108512
PNG
(5-(4,8,12-Trimethyl-tridecyl)-3a,4,7,7a-tetrahydro...)
Show SMILES CC(C)CCCC(C)CCCC(C)CCCC1=CCC2C(C1)C(=O)OC2=O
Show InChI InChI=1/C24H40O3/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-21-22(16-20)24(26)27-23(21)25/h14,17-19,21-22H,5-13,15-16H2,1-4H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108510
PNG
(((E)-3-Dodec-2-enyl)-dihydro-furan-2,5-dione | CHE...)
Show SMILES CCCCCCCCC\C=C\CC1CC(=O)OC1=O
Show InChI InChI=1/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+
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n/an/a>1.00E+6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108506
PNG
(4-(4,8,12-Trimethyl-tridecyl)-cyclohex-4-ene-1,2-d...)
Show SMILES CC(C)CCCC(C)CCCC(C)CCCC1=CCC(C(C1)C(O)=O)C(O)=O
Show InChI InChI=1/C24H42O4/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-21(23(25)26)22(16-20)24(27)28/h14,17-19,21-22H,5-13,15-16H2,1-4H3,(H,25,26)(H,27,28)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108508
PNG
(3-Methylene-dihydro-furan-2,5-dione | CHEMBL87967)
Show SMILES C=C1CC(=O)OC1=O
Show InChI InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108514
PNG
(2-Dodec-2-enyl-succinic acid | CHEMBL441996)
Show SMILES CCCCCCCCC\C=C\CC(CC(O)=O)C(O)=O
Show InChI InChI=1/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)(H,19,20)/b11-10+
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n/an/a>1.00E+6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108505
PNG
(4-[(E)-3,7-Dimethyl-octa-2,6-dien-(E)-ylidene]-cyc...)
Show SMILES CC(C)=CCC\C(C)=C\C=C1/CCC(C(C1)C(O)=O)C(O)=O
Show InChI InChI=1/C18H26O4/c1-12(2)5-4-6-13(3)7-8-14-9-10-15(17(19)20)16(11-14)18(21)22/h5,7-8,15-16H,4,6,9-11H2,1-3H3,(H,19,20)(H,21,22)/b13-7+,14-8+
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n/an/a>1.00E+6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl-protein transferase


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50108508
PNG
(3-Methylene-dihydro-furan-2,5-dione | CHEMBL87967)
Show SMILES C=C1CC(=O)OC1=O
Show InChI InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
PDB

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n/an/a>1.00E+6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 255-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00718-1
BindingDB Entry DOI: 10.7270/Q2GQ6Z93
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%