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PubMed code 18308574

Compile data set for download or QSAR
Found 15 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
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50031853
PNG
(((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+
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n/an/a 100n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM25270
PNG
([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C21H38O6P2/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-14+
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n/an/a 200n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373186
PNG
(CHEMBL429860)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]\[#6]=[#6](\P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9-
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n/an/a 600n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373191
PNG
(CHEMBL260714)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-6-8-15(5)10-12-16(23(17,18)19,24(20,21)22)11-9-14(3)4/h7,9-10H,6,8,11-12H2,1-5H3,(H2,17,18,19)(H2,20,21,22)/b15-10+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373187
PNG
(CHEMBL260713)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]C([#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C21H38O6P2/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13-,20-14-
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373188
PNG
(CHEMBL260712)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C21H38O6P2/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13-,20-14+
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50031846
PNG
(((E)-4,8-Dimethyl-1-phosphono-nona-3,7-dienyl)-pho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]\[#6]=[#6](\P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C11H22O6P2/c1-9(2)5-4-6-10(3)7-8-11(18(12,13)14)19(15,16)17/h5,8,10H,4,6-7H2,1-3H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50031846
PNG
(((E)-4,8-Dimethyl-1-phosphono-nona-3,7-dienyl)-pho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]\[#6]=[#6](\P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C11H22O6P2/c1-9(2)5-4-6-10(3)7-8-11(18(12,13)14)19(15,16)17/h5,8,10H,4,6-7H2,1-3H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373190
PNG
(CHEMBL259208)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]\[#6]=[#6](\P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373184
PNG
(CHEMBL260715)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]C([#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-6-8-15(5)10-12-16(23(17,18)19,24(20,21)22)11-9-14(3)4/h7,9-10H,6,8,11-12H2,1-5H3,(H2,17,18,19)(H2,20,21,22)/b15-10-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373183
PNG
(CHEMBL261582)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C11H22O6P2/c1-9(2)5-7-11(18(12,13)14,19(15,16)17)8-6-10(3)4/h5-6H,7-8H2,1-4H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373184
PNG
(CHEMBL260715)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]C([#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-6-8-15(5)10-12-16(23(17,18)19,24(20,21)22)11-9-14(3)4/h7,9-10H,6,8,11-12H2,1-5H3,(H2,17,18,19)(H2,20,21,22)/b15-10-
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373185
PNG
(CHEMBL261336)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](\P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9-
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373189
PNG
(CHEMBL261097)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](\P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C11H22O6P2/c1-9(2)5-4-6-10(3)7-8-11(18(12,13)14)19(15,16)17/h5,8,10H,4,6-7H2,1-3H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373183
PNG
(CHEMBL261582)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C11H22O6P2/c1-9(2)5-7-11(18(12,13)14,19(15,16)17)8-6-10(3)4/h5-6H,7-8H2,1-4H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%