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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'fontana' and Initial = 'v'   
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
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50232898
PNG
(CHEMBL4071093)
Show SMILES COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1
Show InChI InChI=1S/C18H18O5/c1-21-13-6-4-5-12(9-13)7-8-15(19)14-10-17(22-2)18(23-3)11-16(14)20/h4-11,20H,1-3H3/b8-7+
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in baculovirus-infected insect cells using Luciferin-1A2 as substrate in presence of NADPH by P450-Glo luminesce...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50232898
PNG
(CHEMBL4071093)
Show SMILES COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1
Show InChI InChI=1S/C18H18O5/c1-21-13-6-4-5-12(9-13)7-8-15(19)14-10-17(22-2)18(23-3)11-16(14)20/h4-11,20H,1-3H3/b8-7+
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 expressed in baculovirus-infected insect cells using Luciferin-ME EGE as substrate in presence of NADPH by P450-Glo lumine...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50232898
PNG
(CHEMBL4071093)
Show SMILES COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1
Show InChI InChI=1S/C18H18O5/c1-21-13-6-4-5-12(9-13)7-8-15(19)14-10-17(22-2)18(23-3)11-16(14)20/h4-11,20H,1-3H3/b8-7+
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 expressed in baculovirus-infected insect cells using Luciferin-H EGE as substrate in presence of NADPH by P450-Glo lumine...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 1.88E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Tracer Red dye based fluorescence polarization assay


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 2.48E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 expressed in baculovirus-infected insect cells using Luciferin-ME EGE as substrate in presence of NADPH by P450-Glo lumine...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50232898
PNG
(CHEMBL4071093)
Show SMILES COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1
Show InChI InChI=1S/C18H18O5/c1-21-13-6-4-5-12(9-13)7-8-15(19)14-10-17(22-2)18(23-3)11-16(14)20/h4-11,20H,1-3H3/b8-7+
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n/an/a 2.74E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 expressed in baculovirus-infected insect cells using Luciferin-PFBE as substrate in presence of NADPH by P450-Glo luminesc...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50232898
PNG
(CHEMBL4071093)
Show SMILES COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1
Show InChI InChI=1S/C18H18O5/c1-21-13-6-4-5-12(9-13)7-8-15(19)14-10-17(22-2)18(23-3)11-16(14)20/h4-11,20H,1-3H3/b8-7+
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n/an/a 4.21E+4n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 expressed in baculovirus-infected insect cells using Luciferin-H as substrate in presence of NADPH by P450-Glo luminescenc...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 expressed in baculovirus-infected insect cells using Luciferin-PFBE as substrate in presence of NADPH by P450-Glo luminesc...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 expressed in baculovirus-infected insect cells using Luciferin-H as substrate in presence of NADPH by P450-Glo luminescenc...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 expressed in baculovirus-infected insect cells using Luciferin-1A2 as substrate in presence of NADPH by P450-Glo luminesce...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50232898
PNG
(CHEMBL4071093)
Show SMILES COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1
Show InChI InChI=1S/C18H18O5/c1-21-13-6-4-5-12(9-13)7-8-15(19)14-10-17(22-2)18(23-3)11-16(14)20/h4-11,20H,1-3H3/b8-7+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Tracer Red dye based fluorescence polarization assay


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 expressed in baculovirus-infected insect cells using Luciferin-H EGE as substrate in presence of NADPH by P450-Glo lumine...


Eur J Med Chem 126: 1129-1135 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.017
BindingDB Entry DOI: 10.7270/Q2M61NH7
More data for this
Ligand-Target Pair