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PubMed code 28302510

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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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Article
PubMed
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))
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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Article
PubMed
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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Article
PubMed
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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Article
PubMed
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))
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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Article
PubMed
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))
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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Article
PubMed
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))
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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Article
PubMed
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
* indicates data uncertainty>20%