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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'wills' and Initial = 'vs'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Geranylgeranyl pyrophosphate synthase


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



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of 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 pyrophosphate synthase


(Homo sapiens (Human))		BDBM50151852
PNG
(CHEMBL3775694)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]-c1cn(-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])nn1)(P([#8-])([#8-])=O)P([#8-])([#8-])=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 pyrophosphate synthase


(Homo sapiens (Human))		BDBM50013157
PNG
(CHEMBL3262352)
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 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 pyrophosphate synthase


(Homo sapiens (Human))		BDBM50151855
PNG
(CHEMBL3775345)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=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 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))		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))		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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))		BDBM50151855
PNG
(CHEMBL3775345)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=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 6.60E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant FDPS (unknown origin) assessed as radiolabeled FPP formation preincubated for 10 mins followed by addition of 10 uM GPP sub...

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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))		BDBM50151852
PNG
(CHEMBL3775694)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]-c1cn(-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])nn1)(P([#8-])([#8-])=O)P([#8-])([#8-])=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 1.30E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant FDPS (unknown origin) assessed as radiolabeled FPP formation preincubated for 10 mins followed by addition of 10 uM GPP sub...

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 pyrophosphate synthase


(Homo sapiens (Human))		BDBM50013159
PNG
(CHEMBL3262354)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#8]-[#6@@H]1-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1 |r|
Show InChI InChI=1S/C14H25N3O7P2.4Na/c1-10(2)5-4-6-14(3)12(24-14)9-17-8-11(15-16-17)7-13(25(18,19)20)26(21,22)23;;;;/h5,8,12-13H,4,6-7,9H2,1-3H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4/t12-,14+;;;;/m1..../s1
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n/an/a 1.70E+4n/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 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 1.70E+4n/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 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 1.70E+4n/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 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 1.70E+4n/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 pyrophosphate synthase


(Homo sapiens (Human))		BDBM50013158
PNG
(CHEMBL3262353)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-[#6@@H]1-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1 |r|
Show InChI InChI=1S/C14H25N3O7P2.4Na/c1-10(2)5-4-6-14(3)12(24-14)9-17-8-11(15-16-17)7-13(25(18,19)20)26(21,22)23;;;;/h5,8,12-13H,4,6-7,9H2,1-3H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4/t12-,14-;;;;/m1..../s1
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n/an/a 2.30E+4n/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
Farnesyl 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 2.80E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant FDPS (unknown origin) assessed as radiolabeled FPP formation preincubated for 10 mins followed by addition of 10 uM GPP sub...

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
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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))		BDBM50013158
PNG
(CHEMBL3262353)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-[#6@@H]1-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1 |r|
Show InChI InChI=1S/C14H25N3O7P2.4Na/c1-10(2)5-4-6-14(3)12(24-14)9-17-8-11(15-16-17)7-13(25(18,19)20)26(21,22)23;;;;/h5,8,12-13H,4,6-7,9H2,1-3H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4/t12-,14-;;;;/m1..../s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


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

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
Farnesyl 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 3.33E+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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))		BDBM50013159
PNG
(CHEMBL3262354)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#8]-[#6@@H]1-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1 |r|
Show InChI InChI=1S/C14H25N3O7P2.4Na/c1-10(2)5-4-6-14(3)12(24-14)9-17-8-11(15-16-17)7-13(25(18,19)20)26(21,22)23;;;;/h5,8,12-13H,4,6-7,9H2,1-3H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4/t12-,14+;;;;/m1..../s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


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

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
Farnesyl 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 5.70E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


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

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
Farnesyl 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 5.70E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


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

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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))		BDBM50013157
PNG
(CHEMBL3262352)
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 7.90E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


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

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
Farnesyl 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>1.00E+5n/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