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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 Diphosphate Synthase (GGPPS)


(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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PubMed
n/an/a 170n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL




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 Diphosphate Synthase (GGPPS)


(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
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL




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 Diphosphate Synthase (GGPPS)


(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
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL




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 Diphosphate Synthase (GGPPS)


(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
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL




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 diphosphate 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
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n/an/a 2.98E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL




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 diphosphate 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
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n/an/a 3.33E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL




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 diphosphate 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
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL




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%