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PubMed code 18937434

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
Farnesyl diphosphate 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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Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Universita di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)


J Med Chem 51: 6800-7 (2008)


Article DOI: 10.1021/jm801003y
BindingDB Entry DOI: 10.7270/Q2F76CD8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50273714
PNG
(CHEMBL446734 | [2-(Imidazol-1-yl)ethyl]-bisphospho...)
Show SMILES OP(O)(=O)C(Cn1ccnc1)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)3-7-2-1-6-4-7/h1-2,4-5H,3H2,(H2,8,9,10)(H2,11,12,13)
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PubMed
n/an/a 9.03n/an/an/an/an/an/a



Universita di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)


J Med Chem 51: 6800-7 (2008)


Article DOI: 10.1021/jm801003y
BindingDB Entry DOI: 10.7270/Q2F76CD8
More data for this
Ligand-Target Pair
Farnesyl diphosphate 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 16.1n/an/an/an/an/an/a



Universita di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)


J Med Chem 51: 6800-7 (2008)


Article DOI: 10.1021/jm801003y
BindingDB Entry DOI: 10.7270/Q2F76CD8
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50273717
PNG
(CHEMBL504429 | [2-(Imidazol-2-yl-thio)ethyl]-bisph...)
Show SMILES OP(O)(=O)C(CSc1ncc[nH]1)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O6P2S/c8-14(9,10)4(15(11,12)13)3-16-5-6-1-2-7-5/h1-2,4H,3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
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PubMed
n/an/a 28.1n/an/an/an/an/an/a



Universita di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)


J Med Chem 51: 6800-7 (2008)


Article DOI: 10.1021/jm801003y
BindingDB Entry DOI: 10.7270/Q2F76CD8
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50273718
PNG
(CHEMBL457424 | [2-(Purin-9-yl)ethyl]-bisphosphonic...)
Show SMILES OP(O)(=O)C(Cn1cnc2cncnc12)P(O)(O)=O
Show InChI InChI=1S/C7H10N4O6P2/c12-18(13,14)6(19(15,16)17)2-11-4-10-5-1-8-3-9-7(5)11/h1,3-4,6H,2H2,(H2,12,13,14)(H2,15,16,17)
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PubMed
n/an/a 388n/an/an/an/an/an/a



Universita di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)


J Med Chem 51: 6800-7 (2008)


Article DOI: 10.1021/jm801003y
BindingDB Entry DOI: 10.7270/Q2F76CD8
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50273799
PNG
(CHEMBL452354 | [2-(6-Chloro-purin-9-yl)ethyl]-bisp...)
Show SMILES OP(O)(=O)C(Cn1cnc2c(Cl)ncnc12)P(O)(O)=O
Show InChI InChI=1S/C7H9ClN4O6P2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(19(13,14)15)20(16,17)18/h2-4H,1H2,(H2,13,14,15)(H2,16,17,18)
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PubMed
n/an/a 883n/an/an/an/an/an/a



Universita di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)


J Med Chem 51: 6800-7 (2008)


Article DOI: 10.1021/jm801003y
BindingDB Entry DOI: 10.7270/Q2F76CD8
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50273715
PNG
(CHEMBL457069 | [2-(Pyrazol-1-yl)ethyl]-bisphosphon...)
Show SMILES OP(O)(=O)C(Cn1cccn1)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)4-7-3-1-2-6-7/h1-3,5H,4H2,(H2,8,9,10)(H2,11,12,13)
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PubMed
n/an/a 3.07E+3n/an/an/an/an/an/a



Universita di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)


J Med Chem 51: 6800-7 (2008)


Article DOI: 10.1021/jm801003y
BindingDB Entry DOI: 10.7270/Q2F76CD8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%