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12 similar compounds to monomer 25279

Compile data set for download or QSAR
Wt: 282.1
BDBM12579
Wt: 434.3
BDBM25266
Wt: 296.1
BDBM50138717
Wt: 388.2
BDBM50173783
Wt: 358.2
BDBM50173788
Wt: 358.2
BDBM50173754
Wt: 394.2
BDBM50173756
Wt: 392.6
BDBM50173759
Wt: 376.2
BDBM50173766
Wt: 434.3
BDBM153349
Wt: 434.3
BDBM153354
Wt: 434.3
BDBM153362

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 12579,25266,50138717,50173783,50173788,50173754,50173756,50173759,50173766,153349,153354,153362   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Geranylgeranyl Diphosphate Synthase (GGPPS)


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



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human GGPPS


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


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


(Saccharomyces cerevisiae (Yeast))
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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30n/an/an/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae GGPPS


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


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM12579
PNG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
Show SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)
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303n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM12579
PNG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
Show SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)
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368n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM12579
PNG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
Show SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)
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1.60E+3n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (Human))
BDBM12579
PNG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
Show SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 2.20E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


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


J Med Chem 45: 2185-96 (2002)


Article DOI: 10.1021/jm010412y
BindingDB Entry DOI: 10.7270/Q2KH0MN1
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM12579
PNG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
Show SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyl Pyrophosphate Synthase was determined


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
Inositol-1(or 4)-monophosphatase 1


(Bos taurus)
BDBM12579
PNG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
Show SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Inositol monophosphatase


Bioorg Med Chem Lett 2: 627-630 (1992)


Article DOI: 10.1016/S0960-894X(01)81212-9
BindingDB Entry DOI: 10.7270/Q2QF8SSG
More data for this
Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1


(Trypanosoma brucei)
BDBM50173754
PNG
((2-Biphenyl-3-yl-1-hydroxy-1-phosphono-ethyl)-phos...)
Show SMILES OC(Cc1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H16O7P2/c15-14(22(16,17)18,23(19,20)21)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,15H,10H2,(H2,16,17,18)(H2,19,20,21)
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n/an/a 6.57E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli


J Med Chem 48: 6128-39 (2005)


Article DOI: 10.1021/jm058220g
BindingDB Entry DOI: 10.7270/Q2F47PX2
More data for this
Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1


(Trypanosoma brucei)
BDBM50173756
PNG
(2-(3',4'-difluorobiphenyl-3-yl)-1-hydroxyethane-1,...)
Show SMILES OC(Cc1cccc(c1)-c1ccc(F)c(F)c1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H14F2O7P2/c15-12-5-4-11(7-13(12)16)10-3-1-2-9(6-10)8-14(17,24(18,19)20)25(21,22)23/h1-7,17H,8H2,(H2,18,19,20)(H2,21,22,23)
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n/an/a 5.33E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli


J Med Chem 48: 6128-39 (2005)


Article DOI: 10.1021/jm058220g
BindingDB Entry DOI: 10.7270/Q2F47PX2
More data for this
Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1


(Trypanosoma brucei)
BDBM50173759
PNG
(2-(4'-chlorobiphenyl-3-yl)-1-hydroxyethane-1,1-diy...)
Show SMILES OC(Cc1cccc(c1)-c1ccc(Cl)cc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H15ClO7P2/c15-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14(16,23(17,18)19)24(20,21)22/h1-8,16H,9H2,(H2,17,18,19)(H2,20,21,22)
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n/an/a 3.67E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli


J Med Chem 48: 6128-39 (2005)


Article DOI: 10.1021/jm058220g
BindingDB Entry DOI: 10.7270/Q2F47PX2
More data for this
Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1


(Trypanosoma brucei)
BDBM50173766
PNG
(2-(4'-fluorobiphenyl-3-yl)-1-hydroxyethane-1,1-diy...)
Show SMILES OC(Cc1cccc(c1)-c1ccc(F)cc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H15FO7P2/c15-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14(16,23(17,18)19)24(20,21)22/h1-8,16H,9H2,(H2,17,18,19)(H2,20,21,22)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli


J Med Chem 48: 6128-39 (2005)


Article DOI: 10.1021/jm058220g
BindingDB Entry DOI: 10.7270/Q2F47PX2
More data for this
Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1


(Trypanosoma brucei)
BDBM50138717
PNG
((1-Hydroxy-1-phosphono-2-m-tolyl-ethyl)-phosphonic...)
Show SMILES Cc1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C9H14O7P2/c1-7-3-2-4-8(5-7)6-9(10,17(11,12)13)18(14,15)16/h2-5,10H,6H2,1H3,(H2,11,12,13)(H2,14,15,16)
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n/an/a 2.53E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli


J Med Chem 48: 6128-39 (2005)


Article DOI: 10.1021/jm058220g
BindingDB Entry DOI: 10.7270/Q2F47PX2
More data for this
Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1


(Trypanosoma brucei)
BDBM50173783
PNG
(1-hydroxy-2-(4'-methoxybiphenyl-3-yl)ethane-1,1-di...)
Show SMILES COc1ccc(cc1)-c1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C15H18O8P2/c1-23-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15(16,24(17,18)19)25(20,21)22/h2-9,16H,10H2,1H3,(H2,17,18,19)(H2,20,21,22)
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli


J Med Chem 48: 6128-39 (2005)


Article DOI: 10.1021/jm058220g
BindingDB Entry DOI: 10.7270/Q2F47PX2
More data for this
Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1


(Trypanosoma brucei)
BDBM50173788
PNG
((2-Biphenyl-4-yl-1-hydroxy-1-phosphono-ethyl)-phos...)
Show SMILES OC(Cc1ccc(cc1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H16O7P2/c15-14(22(16,17)18,23(19,20)21)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,15H,10H2,(H2,16,17,18)(H2,19,20,21)
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n/an/a 2.12E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli


J Med Chem 48: 6128-39 (2005)


Article DOI: 10.1021/jm058220g
BindingDB Entry DOI: 10.7270/Q2F47PX2
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM12579
PNG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
Show SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.63E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM12579
PNG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
Show SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM12579
PNG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
Show SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.66E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS)


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



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human GGPPS


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


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
cis-Decaprenyl diphosphate synthase (cis-DPPS)


(Mycobacterium tuberculosis H37Rv)
BDBM153362
PNG
(BPH-625)
Show SMILES OC(Cc1ccc(cc1)-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)14-15-9-11-17(12-10-15)19-8-4-7-18(13-19)16-5-2-1-3-6-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)
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n/an/a 2.91E+5n/an/an/an/a7.5n/a



University of California San Diego



Assay Description
We screened an in-house library of 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by ...


Chem Biol Drug Des 85: 756-69 (2015)


Article DOI: 10.1111/cbdd.12463
BindingDB Entry DOI: 10.7270/Q2ZG6QZN
More data for this
Ligand-Target Pair
cis-Decaprenyl diphosphate synthase (cis-DPPS)


(Mycobacterium tuberculosis H37Rv)
BDBM153354
PNG
(BPH-626)
Show SMILES OC(Cc1ccc(cc1)-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)14-15-6-8-17(9-7-15)19-12-10-18(11-13-19)16-4-2-1-3-5-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)
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n/an/a 5.10E+4n/an/an/an/a7.5n/a



University of California San Diego



Assay Description
We screened an in-house library of 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by ...


Chem Biol Drug Des 85: 756-69 (2015)


Article DOI: 10.1111/cbdd.12463
BindingDB Entry DOI: 10.7270/Q2ZG6QZN
More data for this
Ligand-Target Pair
cis-Decaprenyl diphosphate synthase (cis-DPPS)


(Mycobacterium tuberculosis H37Rv)
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 3.10E+4n/an/an/an/a7.5n/a



University of California San Diego



Assay Description
We screened an in-house library of 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by ...


Chem Biol Drug Des 85: 756-69 (2015)


Article DOI: 10.1111/cbdd.12463
BindingDB Entry DOI: 10.7270/Q2ZG6QZN
More data for this
Ligand-Target Pair
Geranylgeranyl diphosphate synthase (GGPPS)


(Saccharomyces cerevisiae (Yeast))
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 70n/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae GGPPS


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


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


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



National Taiwan University



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


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair
cis-Decaprenyl diphosphate synthase (cis-DPPS)


(Mycobacterium tuberculosis H37Rv)
BDBM153349
PNG
(BPH-624)
Show SMILES OC(Cc1ccc(cc1)-c1ccccc1-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-10-12-17(13-11-15)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)
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PubMed
n/an/a 5.40E+3n/an/an/an/a7.5n/a



University of California San Diego



Assay Description
We screened an in-house library of 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by ...


Chem Biol Drug Des 85: 756-69 (2015)


Article DOI: 10.1111/cbdd.12463
BindingDB Entry DOI: 10.7270/Q2ZG6QZN
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 12579,25266,50138717,50173783,50173788,50173754,50173756,50173759,50173766,153349,153354,153362
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Farnesyl Diphosphate Synthase (FPPS)

(Trypanosoma brucei)
BDBM12579
JPEG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
GoogleScholar
PDB
PC cid
PC sid
-7.452.53-9.965.507.4026.9



University of Illinois at Urbana-Champaign





J Am Chem Soc 128: 3524-5 (2006)

Farnesyl Diphosphate Synthase (FPPS)

(Trypanosoma brucei)
BDBM12579
JPEG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
GoogleScholar
PDB
PC cid
PC sid
-7.472.77-10.25.518.526.9



University of Illinois at Urbana-Champaign





J Am Chem Soc 128: 3524-5 (2006)