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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'ferracini' and Initial = 'r'   
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
Squalene synthase


(Rattus norvegicus)
BDBM12577
PNG
(Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...)
Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)
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Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...


Bioorg Med Chem 18: 2428-38 (2010)


Article DOI: 10.1016/j.bmc.2010.02.058
BindingDB Entry DOI: 10.7270/Q2V124ZP
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50315414
PNG
((5-(4-Phenylsulfonylfurazan-3-yloxy)-1-hydroxypent...)
Show SMILES OC(CCCCOc1nonc1S(=O)(=O)c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H18N2O11P2S/c16-13(27(17,18)19,28(20,21)22)8-4-5-9-25-11-12(15-26-14-11)29(23,24)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22)
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n/an/a 3.71E+3n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...


Bioorg Med Chem 18: 2428-38 (2010)


Article DOI: 10.1016/j.bmc.2010.02.058
BindingDB Entry DOI: 10.7270/Q2V124ZP
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50315415
PNG
((5-(3-Phenylsulfonylfuroxan-4-yloxy)-1-hydroxypent...)
Show SMILES OC(CCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)([P+](O)(O)[O-])[P+](O)(O)[O-]
Show InChI InChI=1S/C13H18N2O12P2S/c16-13(28(18,19)20,29(21,22)23)8-4-5-9-26-11-12(15(17)27-14-11)30(24,25)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,18,19,20)(H2,21,22,23)
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n/an/a 7.95E+3n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...


Bioorg Med Chem 18: 2428-38 (2010)


Article DOI: 10.1016/j.bmc.2010.02.058
BindingDB Entry DOI: 10.7270/Q2V124ZP
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50315412
PNG
(5-(4-Phenylfurazan-3-yloxy)pentylidenebis(phosphon...)
Show SMILES OP(O)(=O)C(CCCCOc1nonc1-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H18N2O8P2/c16-24(17,18)11(25(19,20)21)8-4-5-9-22-13-12(14-23-15-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,16,17,18)(H2,19,20,21)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...


Bioorg Med Chem 18: 2428-38 (2010)


Article DOI: 10.1016/j.bmc.2010.02.058
BindingDB Entry DOI: 10.7270/Q2V124ZP
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50315413
PNG
(5-(3-Phenylfuroxan-4-yloxy)pentylidenebis(phosphon...)
Show SMILES O[P+](O)([O-])C(CCCCOc1no[n+]([O-])c1-c1ccccc1)[P+](O)(O)[O-]
Show InChI InChI=1S/C13H18N2O9P2/c16-15-12(10-6-2-1-3-7-10)13(14-24-15)23-9-5-4-8-11(25(17,18)19)26(20,21)22/h1-3,6-7,11H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillati...


Bioorg Med Chem 18: 2428-38 (2010)


Article DOI: 10.1016/j.bmc.2010.02.058
BindingDB Entry DOI: 10.7270/Q2V124ZP
More data for this
Ligand-Target Pair