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Compile Data Set for Download or QSAR

Found 23 hits from Cephalon (France)   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 200n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat DAT


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 900n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat DAT


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated dopamine reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated dopamine reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat NET-mediated norepinephrine reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat NET-mediated norepinephrine reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156055
PNG
(2-(Diphenyl-methanesulfinyl)-acetamide | 2-(benzhy...)
Show SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat DAT


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50156055
PNG
(2-(Diphenyl-methanesulfinyl)-acetamide | 2-(benzhy...)
Show SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat DAT-mediated dopamine reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50156055
PNG
(2-(Diphenyl-methanesulfinyl)-acetamide | 2-(benzhy...)
Show SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat SERT-mediated serotonin reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 3A5 (CYP3A5)


(Homo sapiens (Human))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP3A5


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat SERT-mediated serotonin reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 3A5 (CYP3A5)


(Homo sapiens (Human))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP3A5


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50156055
PNG
(2-(Diphenyl-methanesulfinyl)-acetamide | 2-(benzhy...)
Show SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
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n/an/a 6.39E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat NET-mediated norepinephrine reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 8.90E+4n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 1.06E+5n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 2.16E+5n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50156055
PNG
(2-(Diphenyl-methanesulfinyl)-acetamide | 2-(benzhy...)
Show SMILES NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat SERT-mediated serotonin reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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UniChem
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PubMed
n/an/a 2.44E+6n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair