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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'ciocoiu' and Initial = 'cc'   
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
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50359554
PNG
(CHEMBL1927473)
Show SMILES Cc1nc(sc1CSc1ccc(OC(F)C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F4NO3S2/c1-11-9-15(7-8-16(11)29-18(22)20(27)28)30-10-17-12(2)26-19(31-17)13-3-5-14(6-4-13)21(23,24)25/h3-9,18H,10H2,1-2H3,(H,27,28)
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n/an/an/an/a 560n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells co-transfected with Gal4 after 24 hrs by luciferase reporter gene ...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50359556
PNG
(CHEMBL1927475)
Show SMILES CC(C)c1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OC(F)C(O)=O
Show InChI InChI=1S/C23H21F4NO3S2/c1-12(2)17-10-16(8-9-18(17)31-20(24)22(29)30)32-11-19-13(3)28-21(33-19)14-4-6-15(7-5-14)23(25,26)27/h4-10,12,20H,11H2,1-3H3,(H,29,30)
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n/an/an/an/a 735n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells co-transfected with Gal4 after 24 hrs by luciferase reporter gene ...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells co-transfected with Gal4 after 24 hrs by luciferase reporter gene ...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50359557
PNG
(CHEMBL1927476)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\C=C\C(O)=O
Show InChI InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,16-19H,2,5,8,11,14-15H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,17-16+,19-18+
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n/an/an/an/a 32n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells co-transfected with Gal4 after 24 hrs by luciferase reporter gene ...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells co-transfected with Gal4 after 24 hrs by luciferase reporter gene ...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50359554
PNG
(CHEMBL1927473)
Show SMILES Cc1nc(sc1CSc1ccc(OC(F)C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F4NO3S2/c1-11-9-15(7-8-16(11)29-18(22)20(27)28)30-10-17-12(2)26-19(31-17)13-3-5-14(6-4-13)21(23,24)25/h3-9,18H,10H2,1-2H3,(H,27,28)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50359555
PNG
(CHEMBL1927474)
Show SMILES CCc1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OC(F)C(O)=O
Show InChI InChI=1S/C22H19F4NO3S2/c1-3-13-10-16(8-9-17(13)30-19(23)21(28)29)31-11-18-12(2)27-20(32-18)14-4-6-15(7-5-14)22(24,25)26/h4-10,19H,3,11H2,1-2H3,(H,28,29)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50359556
PNG
(CHEMBL1927475)
Show SMILES CC(C)c1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OC(F)C(O)=O
Show InChI InChI=1S/C23H21F4NO3S2/c1-12(2)17-10-16(8-9-18(17)31-20(24)22(29)30)32-11-19-13(3)28-21(33-19)14-4-6-15(7-5-14)23(25,26)27/h4-10,12,20H,11H2,1-3H3,(H,29,30)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 912n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50359557
PNG
(CHEMBL1927476)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\C=C\C(O)=O
Show InChI InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,16-19H,2,5,8,11,14-15H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,17-16+,19-18+
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 48n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50359554
PNG
(CHEMBL1927473)
Show SMILES Cc1nc(sc1CSc1ccc(OC(F)C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F4NO3S2/c1-11-9-15(7-8-16(11)29-18(22)20(27)28)30-10-17-12(2)26-19(31-17)13-3-5-14(6-4-13)21(23,24)25/h3-9,18H,10H2,1-2H3,(H,27,28)
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n/an/an/an/a 55n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50359555
PNG
(CHEMBL1927474)
Show SMILES CCc1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OC(F)C(O)=O
Show InChI InChI=1S/C22H19F4NO3S2/c1-3-13-10-16(8-9-17(13)30-19(23)21(28)29)31-11-18-12(2)27-20(32-18)14-4-6-15(7-5-14)22(24,25)26/h4-10,19H,3,11H2,1-2H3,(H,28,29)
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n/an/an/an/a 290n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50359556
PNG
(CHEMBL1927475)
Show SMILES CC(C)c1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OC(F)C(O)=O
Show InChI InChI=1S/C23H21F4NO3S2/c1-12(2)17-10-16(8-9-18(17)31-20(24)22(29)30)32-11-19-13(3)28-21(33-19)14-4-6-15(7-5-14)23(25,26)27/h4-10,12,20H,11H2,1-3H3,(H,29,30)
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n/an/an/an/a 580n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 2.90n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50359557
PNG
(CHEMBL1927476)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\C=C\C(O)=O
Show InChI InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,16-19H,2,5,8,11,14-15H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,17-16+,19-18+
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometeric analy...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50359555
PNG
(CHEMBL1927474)
Show SMILES CCc1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OC(F)C(O)=O
Show InChI InChI=1S/C22H19F4NO3S2/c1-3-13-10-16(8-9-17(13)30-19(23)21(28)29)31-11-18-12(2)27-20(32-18)14-4-6-15(7-5-14)22(24,25)26/h4-10,19H,3,11H2,1-2H3,(H,28,29)
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n/an/an/an/a 710n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells co-transfected with Gal4 after 24 hrs by luciferase reporter gene ...


Bioorg Med Chem 19: 6982-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.020
BindingDB Entry DOI: 10.7270/Q2FQ9X2C
More data for this
Ligand-Target Pair