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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'dupont-passelaigue' and Initial = 'e'   
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
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149327
PNG
(US8962837, 12)
Show SMILES Cn1cc(Cl)nc(N2CCC(CC2)Oc2cc(F)ccc2Cl)c1=O
Show InChI InChI=1S/C16H16Cl2FN3O2/c1-21-9-14(18)20-15(16(21)23)22-6-4-11(5-7-22)24-13-8-10(19)2-3-12(13)17/h2-3,8-9,11H,4-7H2,1H3
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n/an/a 20n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149340
PNG
(US8962837, 36)
Show SMILES FC(F)(F)c1ccccc1NC1CCN(CC1)c1nccnn1
Show InChI InChI=1S/C15H16F3N5/c16-15(17,18)12-3-1-2-4-13(12)21-11-5-9-23(10-6-11)14-19-7-8-20-22-14/h1-4,7-8,11,21H,5-6,9-10H2
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n/an/a 30n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149331
PNG
(US8962837, 18)
Show SMILES Fc1ccc(Cl)c(OC2CCN(CC2)c2nccnn2)c1
Show InChI InChI=1S/C14H14ClFN4O/c15-12-2-1-10(16)9-13(12)21-11-3-7-20(8-4-11)14-17-5-6-18-19-14/h1-2,5-6,9,11H,3-4,7-8H2
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n/an/a 30n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149338
PNG
(US8962837, 33)
Show SMILES Fc1cc(Br)c(OC2CCN(CC2)c2nccnn2)cc1F
Show InChI InChI=1S/C14H13BrF2N4O/c15-10-7-11(16)12(17)8-13(10)22-9-1-5-21(6-2-9)14-18-3-4-19-20-14/h3-4,7-9H,1-2,5-6H2
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n/an/a 55n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149337
PNG
(US8962837, 32)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(OC2CCN(CC2)c2nccnn2)c1
Show InChI InChI=1S/C14H14ClN5O3/c15-12-2-1-10(20(21)22)9-13(12)23-11-3-7-19(8-4-11)14-16-5-6-17-18-14/h1-2,5-6,9,11H,3-4,7-8H2
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n/an/a 65n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149330
PNG
(US8962837, 17)
Show SMILES FC(F)(F)c1ccc(Cl)c(OC2CCN(CC2)c2nccnn2)c1
Show InChI InChI=1S/C15H14ClF3N4O/c16-12-2-1-10(15(17,18)19)9-13(12)24-11-3-7-23(8-4-11)14-20-5-6-21-22-14/h1-2,5-6,9,11H,3-4,7-8H2
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n/an/a 100n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149336
PNG
(US8962837, 30)
Show SMILES Cc1cnc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Cl
Show InChI InChI=1S/C15H16ClFN4O/c1-10-9-18-15(20-19-10)21-6-4-12(5-7-21)22-14-8-11(17)2-3-13(14)16/h2-3,8-9,12H,4-7H2,1H3
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n/an/a 100n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149326
PNG
(US8962837, 11)
Show SMILES Cn1ccnc(N2CCC(CC2)Oc2ccccc2C(F)(F)F)c1=O
Show InChI InChI=1S/C17H18F3N3O2/c1-22-11-8-21-15(16(22)24)23-9-6-12(7-10-23)25-14-5-3-2-4-13(14)17(18,19)20/h2-5,8,11-12H,6-7,9-10H2,1H3
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n/an/a 100n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149333
PNG
(US8962837, 25)
Show SMILES Cc1cnnc(n1)N1CCC(CC1)Oc1cc(F)ccc1Cl
Show InChI InChI=1S/C15H16ClFN4O/c1-10-9-18-20-15(19-10)21-6-4-12(5-7-21)22-14-8-11(17)2-3-13(14)16/h2-3,8-9,12H,4-7H2,1H3
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n/an/a 100n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149323
PNG
(US8962837, 7)
Show SMILES Cn1cc(Cl)nc(N2CCC(CC2)Oc2ccccc2C(F)(F)F)c1=O
Show InChI InChI=1S/C17H17ClF3N3O2/c1-23-10-14(18)22-15(16(23)25)24-8-6-11(7-9-24)26-13-5-3-2-4-12(13)17(19,20)21/h2-5,10-11H,6-9H2,1H3
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n/an/a 200n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149343
PNG
(US8962837, 40)
Show SMILES Cn1nccc(N2CCC(CC2)Oc2cc(ccc2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C17H17ClF3N3O2/c1-23-16(25)14(4-7-22-23)24-8-5-12(6-9-24)26-15-10-11(17(19,20)21)2-3-13(15)18/h2-4,7,10,12H,5-6,8-9H2,1H3
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n/an/a 200n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149324
PNG
(US8962837, 8)
Show SMILES Cn1cc(Cl)nc(N2CCC(CC2)Oc2cc(ccc2Cl)C(F)(F)F)c1=O
Show InChI InChI=1S/C17H16Cl2F3N3O2/c1-24-9-14(19)23-15(16(24)26)25-6-4-11(5-7-25)27-13-8-10(17(20,21)22)2-3-12(13)18/h2-3,8-9,11H,4-7H2,1H3
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n/an/a 200n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149334
PNG
(US8962837, 27)
Show SMILES Cc1cnnc(n1)N1CCC(CC1)Oc1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C16H16ClF3N4O/c1-10-9-21-23-15(22-10)24-6-4-12(5-7-24)25-14-8-11(16(18,19)20)2-3-13(14)17/h2-3,8-9,12H,4-7H2,1H3
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n/an/a 300n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149345
PNG
(US8962837, Sterculic acid)
Show SMILES CCCCCCCCC1=C(CCCCCCCC(O)=O)C1 |c:8|
Show InChI InChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)
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n/an/a 300n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149339
PNG
(US8962837, 35)
Show SMILES [O-][N+](=O)c1ccccc1OC1CCN(CC1)c1nccnn1
Show InChI InChI=1S/C14H15N5O3/c20-19(21)12-3-1-2-4-13(12)22-11-5-9-18(10-6-11)14-15-7-8-16-17-14/h1-4,7-8,11H,5-6,9-10H2
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n/an/a 550n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149332
PNG
(US8962837, 19)
Show SMILES Cc1nnc(nc1C)N1CCC(CC1)Oc1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H18ClF3N4O/c1-10-11(2)23-24-16(22-10)25-7-5-13(6-8-25)26-15-9-12(17(19,20)21)3-4-14(15)18/h3-4,9,13H,5-8H2,1-2H3
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n/an/a 550n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149329
PNG
(US8962837, 14)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nccnn1
Show InChI InChI=1S/C15H15F3N4O/c16-15(17,18)12-3-1-2-4-13(12)23-11-5-9-22(10-6-11)14-19-7-8-20-21-14/h1-4,7-8,11H,5-6,9-10H2
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n/an/a 550n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149328
PNG
(US8962837, 13)
Show SMILES Clc1ccccc1OC1CCN(CC1)c1nccnn1
Show InChI InChI=1S/C14H15ClN4O/c15-12-3-1-2-4-13(12)20-11-5-9-19(10-6-11)14-16-7-8-17-18-14/h1-4,7-8,11H,5-6,9-10H2
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n/an/a 550n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149325
PNG
(US8962837, 9)
Show SMILES Cc1ccccc1OC1CCN(CC1)c1nc(Cl)cn(C)c1=O
Show InChI InChI=1S/C17H20ClN3O2/c1-12-5-3-4-6-14(12)23-13-7-9-21(10-8-13)16-17(22)20(2)11-15(18)19-16/h3-6,11,13H,7-10H2,1-2H3
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n/an/a 550n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149322
PNG
(US8962837, 6)
Show SMILES Cn1cc(Cl)nc(N2CCC(CC2)Oc2ccccc2Cl)c1=O
Show InChI InChI=1S/C16H17Cl2N3O2/c1-20-10-14(18)19-15(16(20)22)21-8-6-11(7-9-21)23-13-5-3-2-4-12(13)17/h2-5,10-11H,6-9H2,1H3
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n/an/a 550n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149341
PNG
(US8962837, 37)
Show SMILES CC1CN(CCC1Oc1cc(ccc1Cl)C(F)(F)F)c1nccnn1
Show InChI InChI=1S/C16H16ClF3N4O/c1-10-9-24(15-21-5-6-22-23-15)7-4-13(10)25-14-8-11(16(18,19)20)2-3-12(14)17/h2-3,5-6,8,10,13H,4,7,9H2,1H3
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n/an/a 550n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149342
PNG
(US8962837, 38)
Show SMILES CC1CN(CCC1Oc1cc(Cl)ccc1Cl)c1nccnn1
Show InChI InChI=1S/C15H16Cl2N4O/c1-10-9-21(15-18-5-6-19-20-15)7-4-13(10)22-14-8-11(16)2-3-12(14)17/h2-3,5-6,8,10,13H,4,7,9H2,1H3
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n/an/a 650n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149344
PNG
(US8962837, 42)
Show SMILES FC(F)(F)c1ccc(Cl)c(OC2CCN(C2)c2nccnn2)c1
Show InChI InChI=1S/C14H12ClF3N4O/c15-11-2-1-9(14(16,17)18)7-12(11)23-10-3-6-22(8-10)13-19-4-5-20-21-13/h1-2,4-5,7,10H,3,6,8H2
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n/an/a 650n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))
BDBM149335
PNG
(US8962837, 28)
Show SMILES Cc1cnnc(n1)N1CCC(CC1)Oc1ccccc1Cl
Show InChI InChI=1S/C15H17ClN4O/c1-11-10-17-19-15(18-11)20-8-6-12(7-9-20)21-14-5-3-2-4-13(14)16/h2-5,10,12H,6-9H2,1H3
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antibodypedia
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US Patent
n/an/a 650n/an/an/an/a7.44



Pierre Fabre Medicament

US Patent


Assay Description
Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (AT...


US Patent US8962837 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6Q8C
More data for this
Ligand-Target Pair