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Compile Data Set for Download or QSAR

Found 166 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl diphosphate synthase (GGPPS)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM12578
PNG
(Bisphosphonate 3 | CHEMBL924 | JMC515594 Compound ...)
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


Citation and Details
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


Citation and Details
Checked by Author
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


Citation and Details
Checked by Author
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


Citation and Details
Checked by Author
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


Citation and Details
Checked by Author
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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)

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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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)

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...


Citation and Details
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)

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...


Citation and Details
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...


Citation and Details
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 ...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
Checked by Author
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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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PubMed
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)

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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PubMed
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)

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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PubMed
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...


Citation and Details
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


Citation and Details
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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PubMed
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...


Citation and Details
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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PubMed
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...


Citation and Details
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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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM50375852
PNG
(CHEMBL427733)
Show SMILES CC(C)=CCC\C(C)=C\CC(C\C=C(\C)CNc1ccccc1C(O)=O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C23H35NO8P2/c1-17(2)8-7-9-18(3)12-14-23(33(27,28)29,34(30,31)32)15-13-19(4)16-24-21-11-6-5-10-20(21)22(25)26/h5-6,8,10-13,24H,7,9,14-16H2,1-4H3,(H,25,26)(H2,27,28,29)(H2,30,31,32)/b18-12+,19-13-
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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (human))
BDBM25285
PNG
((1-hydroxy-1-phosphonododecyl)phosphonic acid | CH...)
Show SMILES CCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)
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PubMed
n/an/a 920n/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)

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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PubMed
n/an/a 980n/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...


Citation and Details
More data for this
Ligand-Target Pair
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