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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'ferrante' and Initial = 'rj'   
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 2C19


(Homo sapiens (Human))
BDBM50394680
PNG
(CHEMBL1939222)
Show SMILES Clc1cc(Cl)cc(OCc2cc(=O)[nH][nH]2)c1
Show InChI InChI=1S/C10H8Cl2N2O2/c11-6-1-7(12)3-9(2-6)16-5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 55: 515-27 (2012)


Article DOI: 10.1021/jm2014277
BindingDB Entry DOI: 10.7270/Q2S75HF3
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50341432
PNG
(1,3-Diphenethylpyrimidine-2,4,6(1H,3H,5H)-trione |...)
Show SMILES O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C20H20N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1-10H,11-15H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


J Med Chem 54: 2409-21 (2011)


Article DOI: 10.1021/jm101549k
BindingDB Entry DOI: 10.7270/Q2VX0GT7
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50341432
PNG
(1,3-Diphenethylpyrimidine-2,4,6(1H,3H,5H)-trione |...)
Show SMILES O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C20H20N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1-10H,11-15H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes


J Med Chem 54: 2409-21 (2011)


Article DOI: 10.1021/jm101549k
BindingDB Entry DOI: 10.7270/Q2VX0GT7
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50341432
PNG
(1,3-Diphenethylpyrimidine-2,4,6(1H,3H,5H)-trione |...)
Show SMILES O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C20H20N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1-10H,11-15H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes


J Med Chem 54: 2409-21 (2011)


Article DOI: 10.1021/jm101549k
BindingDB Entry DOI: 10.7270/Q2VX0GT7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50341432
PNG
(1,3-Diphenethylpyrimidine-2,4,6(1H,3H,5H)-trione |...)
Show SMILES O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C20H20N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1-10H,11-15H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


J Med Chem 54: 2409-21 (2011)


Article DOI: 10.1021/jm101549k
BindingDB Entry DOI: 10.7270/Q2VX0GT7
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50394680
PNG
(CHEMBL1939222)
Show SMILES Clc1cc(Cl)cc(OCc2cc(=O)[nH][nH]2)c1
Show InChI InChI=1S/C10H8Cl2N2O2/c11-6-1-7(12)3-9(2-6)16-5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 55: 515-27 (2012)


Article DOI: 10.1021/jm2014277
BindingDB Entry DOI: 10.7270/Q2S75HF3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50394680
PNG
(CHEMBL1939222)
Show SMILES Clc1cc(Cl)cc(OCc2cc(=O)[nH][nH]2)c1
Show InChI InChI=1S/C10H8Cl2N2O2/c11-6-1-7(12)3-9(2-6)16-5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using testosterone as substrate


J Med Chem 55: 515-27 (2012)


Article DOI: 10.1021/jm2014277
BindingDB Entry DOI: 10.7270/Q2S75HF3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50394680
PNG
(CHEMBL1939222)
Show SMILES Clc1cc(Cl)cc(OCc2cc(=O)[nH][nH]2)c1
Show InChI InChI=1S/C10H8Cl2N2O2/c11-6-1-7(12)3-9(2-6)16-5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
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CHEMBL
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PC cid
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n/an/a>5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 515-27 (2012)


Article DOI: 10.1021/jm2014277
BindingDB Entry DOI: 10.7270/Q2S75HF3
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50394680
PNG
(CHEMBL1939222)
Show SMILES Clc1cc(Cl)cc(OCc2cc(=O)[nH][nH]2)c1
Show InChI InChI=1S/C10H8Cl2N2O2/c11-6-1-7(12)3-9(2-6)16-5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 515-27 (2012)


Article DOI: 10.1021/jm2014277
BindingDB Entry DOI: 10.7270/Q2S75HF3
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50341432
PNG
(1,3-Diphenethylpyrimidine-2,4,6(1H,3H,5H)-trione |...)
Show SMILES O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C20H20N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1-10H,11-15H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


J Med Chem 54: 2409-21 (2011)


Article DOI: 10.1021/jm101549k
BindingDB Entry DOI: 10.7270/Q2VX0GT7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50394680
PNG
(CHEMBL1939222)
Show SMILES Clc1cc(Cl)cc(OCc2cc(=O)[nH][nH]2)c1
Show InChI InChI=1S/C10H8Cl2N2O2/c11-6-1-7(12)3-9(2-6)16-5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
PDB
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n/an/a>5.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using midazolam as substrate


J Med Chem 55: 515-27 (2012)


Article DOI: 10.1021/jm2014277
BindingDB Entry DOI: 10.7270/Q2S75HF3
More data for this
Ligand-Target Pair