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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'varney' and Initial = 'ml'   
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
Farnesyl pyrophosphate synthase


(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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n/an/a 3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of FDPS (unknown origin)


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126757
BindingDB Entry DOI: 10.7270/Q2JM2DW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl pyrophosphate synthase


(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 3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of FDPS (unknown origin)


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126757
BindingDB Entry DOI: 10.7270/Q2JM2DW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl pyrophosphate synthase


(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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n/an/a 10n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of FDPS (unknown origin)


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126757
BindingDB Entry DOI: 10.7270/Q2JM2DW5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50273716
PNG
(CHEMBL457423 | [2-(Benzoimidazol-1-yl)ethyl]-bisph...)
Show SMILES OP(O)(=O)C(Cn1cnc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O6P2/c12-18(13,14)9(19(15,16)17)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,9H,5H2,(H2,12,13,14)(H2,15,16,17)
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n/an/a 24n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and measured after 3...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126757
BindingDB Entry DOI: 10.7270/Q2JM2DW5
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452817
PNG
(CHEMBL4203457)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C15H27N3O6P2/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)/p-4/b13-8-
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TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and mea...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452817
PNG
(CHEMBL4203457)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C15H27N3O6P2/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)/p-4/b13-8-
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n/an/a 75n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins ...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452820
PNG
(CHEMBL4204129)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C16H29N3O6P2/c1-13(2)7-5-8-14(3)9-6-10-19-12-15(17-18-19)11-16(4,26(20,21)22)27(23,24)25/h7,9,12H,5-6,8,10-11H2,1-4H3,(H2,20,21,22)(H2,23,24,25)/p-4/b14-9-
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n/an/a 86n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins ...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452821
PNG
(CHEMBL4208809)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C16H29N3O6P2/c1-13(2)7-5-8-14(3)9-6-10-19-12-15(17-18-19)11-16(4,26(20,21)22)27(23,24)25/h7,9,12H,5-6,8,10-11H2,1-4H3,(H2,20,21,22)(H2,23,24,25)/p-4/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 recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins ...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452821
PNG
(CHEMBL4208809)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C16H29N3O6P2/c1-13(2)7-5-8-14(3)9-6-10-19-12-15(17-18-19)11-16(4,26(20,21)22)27(23,24)25/h7,9,12H,5-6,8,10-11H2,1-4H3,(H2,20,21,22)(H2,23,24,25)/p-4/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 recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins ...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50504717
PNG
(CHEMBL4459281)
Show SMILES OP(O)(=O)C(Cn1cnc2cc(F)c(F)cc12)P(O)(O)=O
Show InChI InChI=1S/C9H10F2N2O6P2/c10-5-1-7-8(2-6(5)11)13(4-12-7)3-9(20(14,15)16)21(17,18)19/h1-2,4,9H,3H2,(H2,14,15,16)(H2,17,18,19)
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n/an/a 150n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and measured after 3...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126757
BindingDB Entry DOI: 10.7270/Q2JM2DW5
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50151859
PNG
(CHEMBL3775876)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=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 170n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins ...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50151859
PNG
(CHEMBL3775876)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=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 170n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins ...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50151859
PNG
(CHEMBL3775876)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=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 170n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition after 30 mins in presen...


Bioorg Med Chem 25: 2437-2444 (2017)


Article DOI: 10.1016/j.bmc.2017.02.066
BindingDB Entry DOI: 10.7270/Q27H1MV0
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50502662
PNG
(CHEMBL4471147)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#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)/p-3/b19-13+,20-14+
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n/an/a 260n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST tagged GGPPs expressed in Escherichia coli BL21 gold cells using [14C] IPP and FPP as substrate preincubated for ...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126633
BindingDB Entry DOI: 10.7270/Q2HD7ZXR
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50502663
PNG
(CHEMBL4476604)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C16H29N3O7P2/c1-13(6-4-7-14(2)12-20)8-5-9-19-11-15(17-18-19)10-16(3,27(21,22)23)28(24,25)26/h7-8,11,20H,4-6,9-10,12H2,1-3H3,(H2,21,22,23)(H2,24,25,26)/p-4/b13-8-,14-7+
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n/an/a 670n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and measured after ...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126633
BindingDB Entry DOI: 10.7270/Q2HD7ZXR
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50504720
PNG
(CHEMBL4529809)
Show SMILES Cc1cc2ncn(CC(P(O)(O)=O)P(O)(O)=O)c2cc1C
Show InChI InChI=1S/C11H16N2O6P2/c1-7-3-9-10(4-8(7)2)13(6-12-9)5-11(20(14,15)16)21(17,18)19/h3-4,6,11H,5H2,1-2H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a 690n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and measured after 3...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126757
BindingDB Entry DOI: 10.7270/Q2JM2DW5
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560069
PNG
(CHEMBL4762902)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
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TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and mea...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452816
PNG
(CHEMBL4211053)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C15H27N3O6P2/c1-12(2)6-5-7-13(3)8-9-18-11-14(16-17-18)10-15(4,25(19,20)21)26(22,23)24/h6,8,11H,5,7,9-10H2,1-4H3,(H2,19,20,21)(H2,22,23,24)/p-4/b13-8-
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n/an/a 920n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins ...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50504716
PNG
(CHEMBL4589567)
Show SMILES CC(Cn1cnc2ccccc12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H14N2O6P2/c1-10(19(13,14)15,20(16,17)18)6-12-7-11-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and measured after 3...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126757
BindingDB Entry DOI: 10.7270/Q2JM2DW5
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560068
PNG
(CHEMBL4748058)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
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TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and mea...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452818
PNG
(CHEMBL4204500)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C15H27N3O6P2/c1-12(2)6-5-7-13(3)8-9-18-11-14(16-17-18)10-15(4,25(19,20)21)26(22,23)24/h6,8,11H,5,7,9-10H2,1-4H3,(H2,19,20,21)(H2,22,23,24)/p-4/b13-8+
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n/an/a 1.27E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins ...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452819
PNG
(CHEMBL4209926)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C15H27N3O6P2/c1-12(2)6-5-7-13(3)8-9-18-11-14(16-17-18)10-15(4,25(19,20)21)26(22,23)24/h6,8,11H,5,7,9-10H2,1-4H3,(H2,19,20,21)(H2,22,23,24)/p-4/b13-8+
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TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measure...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116307
BindingDB Entry DOI: 10.7270/Q2J38XB9
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50237988
PNG
(CHEMBL4096072)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C16H29N3O6P2/c1-13(2)7-6-9-14(3)8-4-5-10-19-12-15(17-18-19)11-16(26(20,21)22)27(23,24)25/h7-8,12,16H,4-6,9-11H2,1-3H3,(H2,20,21,22)(H2,23,24,25)/p-4/b14-8-
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition after 30 mins in presen...


Bioorg Med Chem 25: 2437-2444 (2017)


Article DOI: 10.1016/j.bmc.2017.02.066
BindingDB Entry DOI: 10.7270/Q27H1MV0
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50568510
PNG
(CHEMBL4871673)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]C([#8])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
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TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measure...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116307
BindingDB Entry DOI: 10.7270/Q2J38XB9
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50568509
PNG
(CHEMBL4874626)
Show SMILES [Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-n1cc(nn1)-[#6]1-[#6]C1(P([#8])([#8])=O)P([#8-])([#8-])=O
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TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measure...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116307
BindingDB Entry DOI: 10.7270/Q2J38XB9
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50568506
PNG
(CHEMBL4849668)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]C([#6]-[#7])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
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TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measure...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116307
BindingDB Entry DOI: 10.7270/Q2J38XB9
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50013156
PNG
(CHEMBL3262351)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=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 2.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measure...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116307
BindingDB Entry DOI: 10.7270/Q2J38XB9
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560074
PNG
(CHEMBL4751412)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and mea...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50237986
PNG
(CHEMBL4078024)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C16H29N3O6P2/c1-13(2)7-6-9-14(3)8-4-5-10-19-12-15(17-18-19)11-16(26(20,21)22)27(23,24)25/h7-8,12,16H,4-6,9-11H2,1-3H3,(H2,20,21,22)(H2,23,24,25)/p-4/b14-8+
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition after 30 mins in presen...


Bioorg Med Chem 25: 2437-2444 (2017)


Article DOI: 10.1016/j.bmc.2017.02.066
BindingDB Entry DOI: 10.7270/Q27H1MV0
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50568508
PNG
(CHEMBL4856822)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-n1cc(\[#6]=[#6](/P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
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TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measure...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116307
BindingDB Entry DOI: 10.7270/Q2J38XB9
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50568504
PNG
(CHEMBL4877993)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]C(F)(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measure...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116307
BindingDB Entry DOI: 10.7270/Q2J38XB9
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560071
PNG
(CHEMBL4788743)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O |r|
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TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and mea...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50237987
PNG
(CHEMBL4069787)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C11H21N3O6P2/c1-9(2)5-3-4-6-14-8-10(12-13-14)7-11(21(15,16)17)22(18,19)20/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,17)(H2,18,19,20)/p-4
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition after 30 mins in presen...


Bioorg Med Chem 25: 2437-2444 (2017)


Article DOI: 10.1016/j.bmc.2017.02.066
BindingDB Entry DOI: 10.7270/Q27H1MV0
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560070
PNG
(CHEMBL4747029)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
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TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and mea...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560074
PNG
(CHEMBL4751412)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
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n/an/a 4.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and mea...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560072
PNG
(CHEMBL4782022)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O |r|
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n/an/a 5.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and mea...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452822
PNG
(CHEMBL4207051)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6]C([#6]-c1cn(-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])nn1)(P([#8-])([#8-])=O)P([#8-])([#8-])=O
Show InChI InChI=1S/C16H29N3O6P2/c1-5-16(26(20,21)22,27(23,24)25)11-15-12-19(18-17-15)10-9-14(4)8-6-7-13(2)3/h7,9,12H,5-6,8,10-11H2,1-4H3,(H2,20,21,22)(H2,23,24,25)/p-4/b14-9+
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n/an/a 5.85E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins ...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50568503
PNG
(CHEMBL4876427)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6]C([#6]-c1cn(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])nn1)(P([#8-])([#8-])=O)P([#8-])([#8-])=O
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n/an/a 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measure...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116307
BindingDB Entry DOI: 10.7270/Q2J38XB9
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560070
PNG
(CHEMBL4747029)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
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n/an/a 7.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and meas...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50502664
PNG
(CHEMBL4453988)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C14H25N3O7P2/c1-11(4-3-5-12(2)10-18)6-7-17-9-13(15-16-17)8-14(25(19,20)21)26(22,23)24/h5-6,9,14,18H,3-4,7-8,10H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/p-4/b11-6+,12-5+
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n/an/a 1.16E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and measured after ...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126633
BindingDB Entry DOI: 10.7270/Q2HD7ZXR
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560069
PNG
(CHEMBL4762902)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
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n/an/a 1.43E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and meas...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560067
PNG
(CHEMBL4780650)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
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n/an/a 1.44E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and mea...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452819
PNG
(CHEMBL4209926)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C15H27N3O6P2/c1-12(2)6-5-7-13(3)8-9-18-11-14(16-17-18)10-15(4,25(19,20)21)26(22,23)24/h6,8,11H,5,7,9-10H2,1-4H3,(H2,19,20,21)(H2,22,23,24)/p-4/b13-8+
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n/an/a 2.05E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins ...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50273716
PNG
(CHEMBL457423 | [2-(Benzoimidazol-1-yl)ethyl]-bisph...)
Show SMILES OP(O)(=O)C(Cn1cnc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O6P2/c12-18(13,14)9(19(15,16)17)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,9H,5H2,(H2,12,13,14)(H2,15,16,17)
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n/an/a 2.05E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and measured after ...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126757
BindingDB Entry DOI: 10.7270/Q2JM2DW5
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560074
PNG
(CHEMBL4751412)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
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n/an/a 2.11E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and meas...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452821
PNG
(CHEMBL4208809)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C16H29N3O6P2/c1-13(2)7-5-8-14(3)9-6-10-19-12-15(17-18-19)11-16(4,26(20,21)22)27(23,24)25/h7,9,12H,5-6,8,10-11H2,1-4H3,(H2,20,21,22)(H2,23,24,25)/p-4/b14-9+
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n/an/a 2.41E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant FDPS (unknown origin) using GPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins i...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50452821
PNG
(CHEMBL4208809)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]C([#6])(P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C16H29N3O6P2/c1-13(2)7-5-8-14(3)9-6-10-19-12-15(17-18-19)11-16(4,26(20,21)22)27(23,24)25/h7,9,12H,5-6,8,10-11H2,1-4H3,(H2,20,21,22)(H2,23,24,25)/p-4/b14-9+
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n/an/a 2.41E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant FDPS (unknown origin) using GPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins i...


Bioorg Med Chem 26: 376-385 (2018)


Article DOI: 10.1016/j.bmc.2017.10.023
BindingDB Entry DOI: 10.7270/Q2W098JK
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560072
PNG
(CHEMBL4782022)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O |r|
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n/an/a 2.78E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and meas...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50560074
PNG
(CHEMBL4751412)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O
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n/an/a 2.81E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and meas...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115604
BindingDB Entry DOI: 10.7270/Q20V8HH6
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50237988
PNG
(CHEMBL4096072)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C16H29N3O6P2/c1-13(2)7-6-9-14(3)8-4-5-10-19-12-15(17-18-19)11-16(26(20,21)22)27(23,24)25/h7-8,12,16H,4-6,9-11H2,1-3H3,(H2,20,21,22)(H2,23,24,25)/p-4/b14-8-
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n/an/a 2.98E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant FDPS (unknown origin) using GPP as substrate pretreated for 10 mins followed by substrate addition after 30 mins in presenc...


Bioorg Med Chem 25: 2437-2444 (2017)


Article DOI: 10.1016/j.bmc.2017.02.066
BindingDB Entry DOI: 10.7270/Q27H1MV0
More data for this
Ligand-Target Pair
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