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Compile Data Set for Download or QSAR

Found 170 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl diphosphate synthase (GGPPS)' AND taxid = 9606   
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 Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25266
PNG
(BPH-628 | bisphosphonate, 21 | {1-hydroxy-2-[3-(4-...)
Show SMILES OC(Cc1cccc(c1)-c1ccc(cc1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)
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20n/an/an/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25279
PNG
(BPH-608 | bisphosphonate, 31 | {1-hydroxy-2-[3-(3-...)
Show SMILES OC(Cc1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-6-4-9-17(12-15)19-11-5-10-18(13-19)16-7-2-1-3-8-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)
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60n/an/an/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25284
PNG
((1-hydroxy-2-{3-[3-(naphthalene-2-sulfonamido)phen...)
Show SMILES OC(Cc1cccc(c1)-c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C24H23NO9P2S/c26-24(35(27,28)29,36(30,31)32)16-17-5-3-8-19(13-17)20-9-4-10-22(14-20)25-37(33,34)23-12-11-18-6-1-2-7-21(18)15-23/h1-15,25-26H,16H2,(H2,27,28,29)(H2,30,31,32)
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70n/an/an/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25288
PNG
(BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...)
Show SMILES OC(Cc1cccc(c1)-c1cccc2c1oc1ccccc21)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27)
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110n/an/an/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25289
PNG
(bisphosphonate, 38 | {1-hydroxy-2-[3-(3-phenylphen...)
Show SMILES OC(COc1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)
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110n/an/an/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25297
PNG
(1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...)
Show SMILES OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)
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230n/an/an/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25308
PNG
((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...)
Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
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1.80E+3n/an/an/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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2.70E+3n/an/an/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50336506
PNG
(2-(decyl(methyl)amino)ethane-1,1-diyldiphosphonic ...)
Show SMILES CCCCCCCCCCN(C)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H31NO6P2/c1-3-4-5-6-7-8-9-10-11-14(2)12-13(21(15,16)17)22(18,19)20/h13H,3-12H2,1-2H3,(H2,15,16,17)(H2,18,19,20)
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3.30E+3n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of human GGPPS


Antimicrob Agents Chemother 54: 2987-93 (2010)

Checked by Author
Article DOI: 10.1128/AAC.00198-10
BindingDB Entry DOI: 10.7270/Q2PK0GF9
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25259
PNG
(3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphono...)
Show SMILES CCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)
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6.90E+3n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of human GGPPS


Antimicrob Agents Chemother 54: 2987-93 (2010)

Checked by Author
Article DOI: 10.1128/AAC.00198-10
BindingDB Entry DOI: 10.7270/Q2PK0GF9
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50336505
PNG
(2-(methyl(octyl)amino)ethane-1,1-diyldiphosphonic ...)
Show SMILES CCCCCCCCN(C)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H27NO6P2/c1-3-4-5-6-7-8-9-12(2)10-11(19(13,14)15)20(16,17)18/h11H,3-10H2,1-2H3,(H2,13,14,15)(H2,16,17,18)
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1.20E+4n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of human GGPPS


Antimicrob Agents Chemother 54: 2987-93 (2010)

Checked by Author
Article DOI: 10.1128/AAC.00198-10
BindingDB Entry DOI: 10.7270/Q2PK0GF9
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM12576
PNG
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)
Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
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8.30E+6n/an/an/an/an/an/an/an/a



National Institute of Immunology

Curated by ChEMBL


Assay Description
Inhibition of human GGPPS


Antimicrob Agents Chemother 54: 2987-93 (2010)

Checked by Author
Article DOI: 10.1128/AAC.00198-10
BindingDB Entry DOI: 10.7270/Q2PK0GF9
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50151859
PNG
(CHEMBL3775876)
Show SMILES [Na+].[Na+].[Na+].[Na+].CC(C)=CCC\C(C)=C\CCn1cc(CC(P([O-])([O-])=O)P([O-])([O-])=O)nn1
Show InChI InChI=1S/C15H27N3O6P2.4Na/c1-12(2)6-4-7-13(3)8-5-9-18-11-14(16-17-18)10-15(25(19,20)21)26(22,23)24;;;;/h6,8,11,15H,4-5,7,9-10H2,1-3H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/b13-8+;;;;
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n/an/a 45n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) assessed as radiolabeled GGPP formation preincubated for 10 mins followed by addition of 10 uM FPP s...


ACS Med Chem Lett 6: 1195-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00334
BindingDB Entry DOI: 10.7270/Q25B04DN
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50031853
PNG
(((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC=C(P(O)(O)=O)P(O)(O)=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 GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50031853
PNG
(((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC=C(P(O)(O)=O)P(O)(O)=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 Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25256
PNG
(bisphosphonate, 9 | hydrogen [2-(dodecyldimethylph...)
Show SMILES CCCCCCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C16H37O6P3/c1-4-5-6-7-8-9-10-11-12-13-14-23(2,3)15-16(24(17,18)19)25(20,21)22/h16H,4-15H2,1-3H3,(H3-,17,18,19,20,21,22)
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n/an/a 100n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50113289
PNG
(2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-...)
Show SMILES CN(CCOP(O)(=O)OP(O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C19H37NO7P2/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/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+
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n/an/a 140n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).


J Med Chem 45: 2185-96 (2002)


Article DOI: 10.1021/jm010412y
BindingDB Entry DOI: 10.7270/Q2KH0MN1
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25270
PNG
([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...)
Show SMILES CC(C)=CCC\C(C)=C\CC(C\C=C(/C)CCC=C(C)C)(P(O)(O)=O)P(O)(O)=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 GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25270
PNG
([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...)
Show SMILES CC(C)=CCC\C(C)=C\CC(C\C=C(/C)CCC=C(C)C)(P(O)(O)=O)P(O)(O)=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 recombinant GGDPS (unknown origin) assessed as decrease in radiolabeld GGPP level using FPP and [14C]IPP as substrate treated with enzy...


Bioorg Med Chem 22: 2791-8 (2014)


Article DOI: 10.1016/j.bmc.2014.03.014
BindingDB Entry DOI: 10.7270/Q2TD9ZWV
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25270
PNG
([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...)
Show SMILES CC(C)=CCC\C(C)=C\CC(C\C=C(/C)CCC=C(C)C)(P(O)(O)=O)P(O)(O)=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 Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50327044
PNG
(CHEMBL1254000 | sodium(E)-5,9-dimethyl-1-(3-(3-met...)
Show SMILES CC(C)=CCC\C(C)=C\CC(Cc1cccc(CC=C(C)C)c1)(P([O-])([O-])=O)P([O-])([O-])=O
Show InChI InChI=1S/C23H36O6P2/c1-18(2)8-6-9-20(5)14-15-23(30(24,25)26,31(27,28)29)17-22-11-7-10-21(16-22)13-12-19(3)4/h7-8,10-12,14,16H,6,9,13,15,17H2,1-5H3,(H2,24,25,26)(H2,27,28,29)/p-4/b20-14+
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n/an/a 250n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria by liquid scintillation counting


Bioorg Med Chem 18: 7212-20 (2010)


Article DOI: 10.1016/j.bmc.2010.08.036
BindingDB Entry DOI: 10.7270/Q2S46S55
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25258
PNG
(3-(decyloxy)-5-(2-hydrogen phosphonato-2-phosphono...)
Show SMILES CCCCCCCCCCOc1cc(CC(P(O)(O)=O)P(O)([O-])=O)c[n+](C)c1
Show InChI InChI=1S/C18H33NO7P2/c1-3-4-5-6-7-8-9-10-11-26-17-12-16(14-19(2)15-17)13-18(27(20,21)22)28(23,24)25/h12,14-15,18H,3-11,13H2,1-2H3,(H3-,20,21,22,23,24,25)
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n/an/a 280n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25259
PNG
(3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphono...)
Show SMILES CCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)
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n/an/a 280n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25259
PNG
(3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphono...)
Show SMILES CCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)
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n/an/a 280n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGPPS using [14C]-IPP as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by scinti...


J Med Chem 55: 3201-15 (2012)


Article DOI: 10.1021/jm201657x
BindingDB Entry DOI: 10.7270/Q29024V1
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25259
PNG
(3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphono...)
Show SMILES CCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)
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n/an/a 280n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGPS using [14C]-IPP as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by scintil...


Bioorg Med Chem 20: 5583-91 (2012)


Article DOI: 10.1016/j.bmc.2012.07.019
BindingDB Entry DOI: 10.7270/Q2J67J6M
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50375853
PNG
(CHEMBL410064)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C/CC(C\C=C(/C)CCC=C(C)C)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C26H46O6P2/c1-21(2)11-8-13-23(5)15-10-16-25(7)18-20-26(33(27,28)29,34(30,31)32)19-17-24(6)14-9-12-22(3)4/h11-12,15,17-18H,8-10,13-14,16,19-20H2,1-7H3,(H2,27,28,29)(H2,30,31,32)/b23-15+,24-17+,25-18-
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n/an/a 300n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


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


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50113287
PNG
(3-[(4,8-dimethyl-nona-3,7-dienyl)-methyl-amino]-pr...)
Show SMILES CN(CCCOP(O)(=O)OP(O)(O)=O)CC\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C15H31NO7P2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-22-25(20,21)23-24(17,18)19/h8,10H,5-7,9,11-13H2,1-4H3,(H,20,21)(H2,17,18,19)/b15-10+
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n/an/a 310n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).


J Med Chem 45: 2185-96 (2002)


Article DOI: 10.1021/jm010412y
BindingDB Entry DOI: 10.7270/Q2KH0MN1
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25260
PNG
(bisphosphonate, 16 | {2-[dodecyl(methyl)amino]-1-p...)
Show SMILES CCCCCCCCCCCCN(C)CC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C15H35NO6P2/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15(23(17,18)19)24(20,21)22/h15H,3-14H2,1-2H3,(H2,17,18,19)(H2,20,21,22)
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n/an/a 350n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50113285
PNG
(3-[methyl-(4,8,12-trimethyl-trideca-3,7,11-trienyl...)
Show SMILES CN(CCCOP(O)(=O)OP(O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C20H39NO7P2/c1-18(2)10-6-11-19(3)12-7-13-20(4)14-8-15-21(5)16-9-17-27-30(25,26)28-29(22,23)24/h10,12,14H,6-9,11,13,15-17H2,1-5H3,(H,25,26)(H2,22,23,24)/b19-12+,20-14+
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n/an/a 370n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).


J Med Chem 45: 2185-96 (2002)


Article DOI: 10.1021/jm010412y
BindingDB Entry DOI: 10.7270/Q2KH0MN1
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50151852
PNG
(CHEMBL3775694)
Show SMILES [Na+].[Na+].[Na+].[Na+].CC(C)=CCC\C(C)=C\CC(Cc1cn(CCC=C(C)C)nn1)(P([O-])([O-])=O)P([O-])([O-])=O
Show InChI InChI=1S/C20H35N3O6P2.4Na/c1-16(2)8-6-10-18(5)11-12-20(30(24,25)26,31(27,28)29)14-19-15-23(22-21-19)13-7-9-17(3)4;;;;/h8-9,11,15H,6-7,10,12-14H2,1-5H3,(H2,24,25,26)(H2,27,28,29);;;;/q;4*+1/p-4/b18-11+;;;;
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n/an/a 380n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) assessed as radiolabeled GGPP formation preincubated for 10 mins followed by addition of 10 uM FPP s...


ACS Med Chem Lett 6: 1195-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00334
BindingDB Entry DOI: 10.7270/Q25B04DN
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50013157
PNG
(CHEMBL3262352)
Show SMILES [Na+].[Na+].[Na+].[Na+].CC(C)=CCC\C(C)=C/Cn1cc(CC(P([O-])([O-])=O)P([O-])([O-])=O)nn1
Show InChI InChI=1S/C14H25N3O6P2.4Na/c1-11(2)5-4-6-12(3)7-8-17-10-13(15-16-17)9-14(24(18,19)20)25(21,22)23;;;;/h5,7,10,14H,4,6,8-9H2,1-3H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4/b12-7-;;;;
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n/an/a 380n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) assessed as decrease in radiolabeld GGPP level using FPP and [14C]IPP as substrate treated with enzy...


Bioorg Med Chem 22: 2791-8 (2014)


Article DOI: 10.1016/j.bmc.2014.03.014
BindingDB Entry DOI: 10.7270/Q2TD9ZWV
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25261
PNG
(3-decyl-1-(2-hydrogen phosphonato-2-phosphonoethyl...)
Show SMILES CCCCCCCCCCc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H31NO6P2/c1-2-3-4-5-6-7-8-9-11-16-12-10-13-18(14-16)15-17(25(19,20)21)26(22,23)24/h10,12-14,17H,2-9,11,15H2,1H3,(H3-,19,20,21,22,23,24)
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n/an/a 400n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25270
PNG
([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...)
Show SMILES CC(C)=CCC\C(C)=C\CC(C\C=C(/C)CCC=C(C)C)(P(O)(O)=O)P(O)(O)=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 410n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6 tagged GGPPS expressed in Escherichia coli BL21 using FPP and [14C]IPP as substrate incubated for 10 ...


J Med Chem 55: 3201-15 (2012)


Article DOI: 10.1021/jm201657x
BindingDB Entry DOI: 10.7270/Q29024V1
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50151855
PNG
(CHEMBL3775345)
Show SMILES [Na+].[Na+].[Na+].[Na+].CC(C)=CCCn1cc(CC(P([O-])([O-])=O)P([O-])([O-])=O)nn1
Show InChI InChI=1S/C10H19N3O6P2.4Na/c1-8(2)4-3-5-13-7-9(11-12-13)6-10(20(14,15)16)21(17,18)19;;;;/h4,7,10H,3,5-6H2,1-2H3,(H2,14,15,16)(H2,17,18,19);;;;/q;4*+1/p-4
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n/an/a 430n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) assessed as radiolabeled GGPP formation preincubated for 10 mins followed by addition of 10 uM FPP s...


ACS Med Chem Lett 6: 1195-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00334
BindingDB Entry DOI: 10.7270/Q25B04DN
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25262
PNG
(3-bromo-5-(decyloxy)-1-(2-hydrogen phosphonato-2-p...)
Show SMILES CCCCCCCCCCOc1cc(Br)c[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H30BrNO7P2/c1-2-3-4-5-6-7-8-9-10-26-16-11-15(18)12-19(13-16)14-17(27(20,21)22)28(23,24)25/h11-13,17H,2-10,14H2,1H3,(H3-,20,21,22,23,24,25)
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n/an/a 510n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25263
PNG
(bisphosphonate, 19 | {2-[3-(decyloxy)phenyl]-1-hyd...)
Show SMILES CCCCCCCCCCOc1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C18H32O8P2/c1-2-3-4-5-6-7-8-9-13-26-17-12-10-11-16(14-17)15-18(19,27(20,21)22)28(23,24)25/h10-12,14,19H,2-9,13,15H2,1H3,(H2,20,21,22)(H2,23,24,25)
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n/an/a 590n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50373186
PNG
(CHEMBL429860)
Show SMILES CC(CC\C=C(\C)CCC=C(C)C)CC=C(P(O)(O)=O)P(O)(O)=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 Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50375847
PNG
(CHEMBL408792)
Show SMILES C\C=C(/C)CC\C=C(\C)CCCC(C)C=C(P([O-])([O-])=O)P([O-])([O-])=O
Show InChI InChI=1S/C16H30O6P2/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16(23(17,18)19)24(20,21)22/h5,9,12,15H,6-8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4/b13-5+,14-9-
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n/an/a 600n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


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


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25264
PNG
(1-(2-hydrogen phosphonato-2-phosphonoethyl)-4-octy...)
Show SMILES CCCCCCCCc1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)cc1
Show InChI InChI=1S/C15H27NO6P2/c1-2-3-4-5-6-7-8-14-9-11-16(12-10-14)13-15(23(17,18)19)24(20,21)22/h9-12,15H,2-8,13H2,1H3,(H3-,17,18,19,20,21,22)
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n/an/a 660n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25308
PNG
((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...)
Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
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n/an/a 670n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of GGPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting


J Med Chem 53: 3454-64 (2010)

Checked by Author
Article DOI: 10.1021/jm900232u
BindingDB Entry DOI: 10.7270/Q21837FJ
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25265
PNG
((1-hydroxy-1-phosphonononyl)phosphonic acid | CHEM...)
Show SMILES CCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 710n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25266
PNG
(BPH-628 | bisphosphonate, 21 | {1-hydroxy-2-[3-(4-...)
Show SMILES OC(Cc1cccc(c1)-c1ccc(cc1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)
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n/an/a 720n/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25269
PNG
((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...)
Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 720n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).


J Med Chem 45: 2185-96 (2002)


Article DOI: 10.1021/jm010412y
BindingDB Entry DOI: 10.7270/Q2KH0MN1
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25266
PNG
(BPH-628 | bisphosphonate, 21 | {1-hydroxy-2-[3-(4-...)
Show SMILES OC(Cc1cccc(c1)-c1ccc(cc1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)
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n/an/a 720n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50113283
PNG
(2-[(4-(2-methylpent-2-ene)-pent-3-enyl)(methyl)ami...)
Show SMILES CN(CCOP(O)(=O)OP(O)(O)=O)CC\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C14H29NO7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9H,5-6,8,10-12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+
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n/an/a 740n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).


J Med Chem 45: 2185-96 (2002)


Article DOI: 10.1021/jm010412y
BindingDB Entry DOI: 10.7270/Q2KH0MN1
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25267
PNG
(3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2-hydrogen ...)
Show SMILES CCCCCCCCCCOc1cc(c[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C23H33F2NO7P2/c1-2-3-4-5-6-7-8-9-10-33-22-13-19(18-11-20(24)14-21(25)12-18)15-26(16-22)17-23(34(27,28)29)35(30,31)32/h11-16,23H,2-10,17H2,1H3,(H3-,27,28,29,30,31,32)
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n/an/a 760n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50327045
PNG
(CHEMBL1254093 | sodium(E)-5,9-dimethyl-1-(4-(3-met...)
Show SMILES CC(C)=CCC\C(C)=C\CC(Cc1ccc(CC=C(C)C)cc1)(P([O-])([O-])=O)P([O-])([O-])=O
Show InChI InChI=1S/C23H36O6P2/c1-18(2)7-6-8-20(5)15-16-23(30(24,25)26,31(27,28)29)17-22-13-11-21(12-14-22)10-9-19(3)4/h7,9,11-15H,6,8,10,16-17H2,1-5H3,(H2,24,25,26)(H2,27,28,29)/p-4/b20-15+
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n/an/a 800n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria by liquid scintillation counting


Bioorg Med Chem 18: 7212-20 (2010)


Article DOI: 10.1016/j.bmc.2010.08.036
BindingDB Entry DOI: 10.7270/Q2S46S55
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25269
PNG
((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...)
Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 890n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25268
PNG
(bisphosphonate, 22 | hydrogen {2-[dimethyl(octyl)p...)
Show SMILES CCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C12H29O6P3/c1-4-5-6-7-8-9-10-19(2,3)11-12(20(13,14)15)21(16,17)18/h12H,4-11H2,1-3H3,(H3-,13,14,15,16,17,18)
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n/an/a 890n/an/an/an/a7.037



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50375856
PNG
(CHEMBL411030)
Show SMILES CC(C)=CCC\C(C)=C\CC(C\C=C(\C)CC\C=C(/C)CNc1ccccc1C(O)=O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C28H43NO8P2/c1-21(2)10-8-11-22(3)16-18-28(38(32,33)34,39(35,36)37)19-17-23(4)12-9-13-24(5)20-29-26-15-7-6-14-25(26)27(30)31/h6-7,10,13-17,29H,8-9,11-12,18-20H2,1-5H3,(H,30,31)(H2,32,33,34)(H2,35,36,37)/b22-16+,23-17-,24-13+
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n/an/a 900n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


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


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
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