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Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group I member 3'   
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
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50030476
PNG
(CHEMBL458603)
Show SMILES Clc1ccc(cc1)-c1nc2sccn2c1\C=N\OCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
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n/an/an/an/a 20n/an/an/an/a



Palacky University in Olomouc

Curated by ChEMBL


Assay Description
Agonist activity at CAR LBD (108 to 348 residues) expressed in human HepG2 cells assessed as receptor binding to PGC1alpha by lanthascreenTR-FRET coa...


J Med Chem 59: 4601-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01891
BindingDB Entry DOI: 10.7270/Q2D220JZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50030476
PNG
(CHEMBL458603)
Show SMILES Clc1ccc(cc1)-c1nc2sccn2c1\C=N\OCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
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n/an/an/an/a 75n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human CAR expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 24: 5265-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.053
BindingDB Entry DOI: 10.7270/Q2S46TKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50030476
PNG
(CHEMBL458603)
Show SMILES Clc1ccc(cc1)-c1nc2sccn2c1\C=N\OCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
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n/an/an/an/a 510n/an/an/an/a



Palacky University in Olomouc

Curated by ChEMBL


Assay Description
Agonist activity at human CAR3 expressed in African green monkey COS-1 cells cotransfected with RXRalpha after 24 hrs by CYP2B6-luciferase reporter g...


J Med Chem 59: 4601-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01891
BindingDB Entry DOI: 10.7270/Q2D220JZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50185306
PNG
(CHEMBL3823873)
Show SMILES COc1cccc(c1)-c1nc2ccccc2c(=S)[nH]1
Show InChI InChI=1S/C15H12N2OS/c1-18-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(19)17-14/h2-9H,1H3,(H,16,17,19)
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n/an/an/an/a 690n/an/an/an/a



Palacky University in Olomouc

Curated by ChEMBL


Assay Description
Agonist activity at CAR LBD (108 to 348 residues) expressed in human HepG2 cells assessed as receptor binding to PGC1alpha by lanthascreenTR-FRET coa...


J Med Chem 59: 4601-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01891
BindingDB Entry DOI: 10.7270/Q2D220JZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50185307
PNG
(CHEMBL3822473)
Show SMILES COc1cccc(c1)-c1nc(OC)c2ccccc2n1
Show InChI InChI=1S/C16H14N2O2/c1-19-12-7-5-6-11(10-12)15-17-14-9-4-3-8-13(14)16(18-15)20-2/h3-10H,1-2H3
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n/an/an/an/a 2.07E+3n/an/an/an/a



Palacky University in Olomouc

Curated by ChEMBL


Assay Description
Agonist activity at CAR LBD (108 to 348 residues) expressed in human HepG2 cells assessed as receptor binding to PGC1alpha by lanthascreenTR-FRET coa...


J Med Chem 59: 4601-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01891
BindingDB Entry DOI: 10.7270/Q2D220JZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50185305
PNG
(CHEMBL3822867)
Show SMILES COc1cccc(c1)-c1nc(SC)c2ccccc2n1
Show InChI InChI=1S/C16H14N2OS/c1-19-12-7-5-6-11(10-12)15-17-14-9-4-3-8-13(14)16(18-15)20-2/h3-10H,1-2H3
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n/an/an/an/a 4.04E+3n/an/an/an/a



Palacky University in Olomouc

Curated by ChEMBL


Assay Description
Agonist activity at human CAR3 expressed in African green monkey COS-1 cells cotransfected with RXRalpha after 24 hrs by CYP2B6-luciferase reporter g...


J Med Chem 59: 4601-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01891
BindingDB Entry DOI: 10.7270/Q2D220JZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50185307
PNG
(CHEMBL3822473)
Show SMILES COc1cccc(c1)-c1nc(OC)c2ccccc2n1
Show InChI InChI=1S/C16H14N2O2/c1-19-12-7-5-6-11(10-12)15-17-14-9-4-3-8-13(14)16(18-15)20-2/h3-10H,1-2H3
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n/an/an/an/a 4.91E+3n/an/an/an/a



Palacky University in Olomouc

Curated by ChEMBL


Assay Description
Agonist activity at human CAR3 expressed in African green monkey COS-1 cells cotransfected with RXRalpha after 24 hrs by CYP2B6-luciferase reporter g...


J Med Chem 59: 4601-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01891
BindingDB Entry DOI: 10.7270/Q2D220JZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50185305
PNG
(CHEMBL3822867)
Show SMILES COc1cccc(c1)-c1nc(SC)c2ccccc2n1
Show InChI InChI=1S/C16H14N2OS/c1-19-12-7-5-6-11(10-12)15-17-14-9-4-3-8-13(14)16(18-15)20-2/h3-10H,1-2H3
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n/an/an/an/a 5.12E+3n/an/an/an/a



Palacky University in Olomouc

Curated by ChEMBL


Assay Description
Agonist activity at CAR LBD (108 to 348 residues) expressed in human HepG2 cells assessed as receptor binding to PGC1alpha by lanthascreenTR-FRET coa...


J Med Chem 59: 4601-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01891
BindingDB Entry DOI: 10.7270/Q2D220JZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50185306
PNG
(CHEMBL3823873)
Show SMILES COc1cccc(c1)-c1nc2ccccc2c(=S)[nH]1
Show InChI InChI=1S/C15H12N2OS/c1-18-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(19)17-14/h2-9H,1H3,(H,16,17,19)
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n/an/an/an/a 6.12E+3n/an/an/an/a



Palacky University in Olomouc

Curated by ChEMBL


Assay Description
Agonist activity at human CAR3 expressed in African green monkey COS-1 cells cotransfected with RXRalpha after 24 hrs by CYP2B6-luciferase reporter g...


J Med Chem 59: 4601-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01891
BindingDB Entry DOI: 10.7270/Q2D220JZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at CAR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at CAR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at CAR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.084
BindingDB Entry DOI: 10.7270/Q21V5F52
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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100n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CAR LBD after 1 hr by Scintillation Proximity Assay


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 690n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CAR-LBD transfected in CV-1 cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 100n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-SRC1 coactivator recruitment after 1 hr by TR-FRET assay


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50187243
PNG
(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 fused-human CAR-LBD transfected HEK293 cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146170
PNG
(CHEMBL3763793)
Show SMILES O=C(Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1)OC1CCCCC1
Show InChI InChI=1S/C27H29N3O3/c31-26(19-29-16-6-7-17-29)30-24-11-5-4-8-20(24)12-13-21-14-15-22(18-25(21)30)28-27(32)33-23-9-2-1-3-10-23/h4-8,11,14-18,23H,1-3,9-10,12-13,19H2,(H,28,32)
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n/an/a 12n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146171
PNG
(CHEMBL3763399)
Show SMILES O=C(Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1)OC1CCCC1
Show InChI InChI=1S/C26H27N3O3/c30-25(18-28-15-5-6-16-28)29-23-10-4-1-7-19(23)11-12-20-13-14-21(17-24(20)29)27-26(31)32-22-8-2-3-9-22/h1,4-7,10,13-17,22H,2-3,8-9,11-12,18H2,(H,27,31)
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n/an/a 14n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146172
PNG
(CHEMBL3763664)
Show SMILES O=C(Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1)OC1CCC1
Show InChI InChI=1S/C25H25N3O3/c29-24(17-27-14-3-4-15-27)28-22-9-2-1-6-18(22)10-11-19-12-13-20(16-23(19)28)26-25(30)31-21-7-5-8-21/h1-4,6,9,12-16,21H,5,7-8,10-11,17H2,(H,26,30)
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n/an/a 20n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146173
PNG
(CHEMBL3763725)
Show SMILES O=C(Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1)OC1CC1
Show InChI InChI=1S/C24H23N3O3/c28-23(16-26-13-3-4-14-26)27-21-6-2-1-5-17(21)7-8-18-9-10-19(15-22(18)27)25-24(29)30-20-11-12-20/h1-6,9-10,13-15,20H,7-8,11-12,16H2,(H,25,29)
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n/an/a 22n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146174
PNG
(CHEMBL3764583)
Show SMILES CC(C)(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1
Show InChI InChI=1S/C25H27N3O3/c1-25(2,3)31-24(30)26-20-13-12-19-11-10-18-8-4-5-9-21(18)28(22(19)16-20)23(29)17-27-14-6-7-15-27/h4-9,12-16H,10-11,17H2,1-3H3,(H,26,30)
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n/an/a 32n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146175
PNG
(CHEMBL3763569)
Show SMILES CC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)(C)C)cc12
Show InChI InChI=1S/C24H30N2O4/c1-16(2)29-15-22(27)26-20-9-7-6-8-17(20)10-11-18-12-13-19(14-21(18)26)25-23(28)30-24(3,4)5/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,25,28)
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n/an/a 116n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146176
PNG
(CHEMBL3764753)
Show SMILES CC(C)(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN3CCCCC3)c2c1
Show InChI InChI=1S/C26H33N3O3/c1-26(2,3)32-25(31)27-21-14-13-20-12-11-19-9-5-6-10-22(19)29(23(20)17-21)24(30)18-28-15-7-4-8-16-28/h5-6,9-10,13-14,17H,4,7-8,11-12,15-16,18H2,1-3H3,(H,27,31)
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n/an/a 216n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146177
PNG
(CHEMBL3764619)
Show SMILES CCCN(CCC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)(C)C)cc12
Show InChI InChI=1S/C27H37N3O3/c1-6-16-29(17-7-2)19-25(31)30-23-11-9-8-10-20(23)12-13-21-14-15-22(18-24(21)30)28-26(32)33-27(3,4)5/h8-11,14-15,18H,6-7,12-13,16-17,19H2,1-5H3,(H,28,32)
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n/an/a 153n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146178
PNG
(CHEMBL3764168)
Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COC3CCCCC3)c2c1
Show InChI InChI=1S/C26H32N2O4/c1-18(2)32-26(30)27-21-15-14-20-13-12-19-8-6-7-11-23(19)28(24(20)16-21)25(29)17-31-22-9-4-3-5-10-22/h6-8,11,14-16,18,22H,3-5,9-10,12-13,17H2,1-2H3,(H,27,30)
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n/an/a 24n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146179
PNG
(CHEMBL3763536)
Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COC3CCCC3)c2c1
Show InChI InChI=1S/C25H30N2O4/c1-17(2)31-25(29)26-20-14-13-19-12-11-18-7-3-6-10-22(18)27(23(19)15-20)24(28)16-30-21-8-4-5-9-21/h3,6-7,10,13-15,17,21H,4-5,8-9,11-12,16H2,1-2H3,(H,26,29)
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n/an/a 20n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146180
PNG
(CHEMBL3764324)
Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COC3CCC3)c2c1
Show InChI InChI=1S/C24H28N2O4/c1-16(2)30-24(28)25-19-13-12-18-11-10-17-6-3-4-9-21(17)26(22(18)14-19)23(27)15-29-20-7-5-8-20/h3-4,6,9,12-14,16,20H,5,7-8,10-11,15H2,1-2H3,(H,25,28)
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n/an/a 38n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146181
PNG
(CHEMBL3763979)
Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COC3CC3)c2c1
Show InChI InChI=1S/C23H26N2O4/c1-15(2)29-23(27)24-18-10-9-17-8-7-16-5-3-4-6-20(16)25(21(17)13-18)22(26)14-28-19-11-12-19/h3-6,9-10,13,15,19H,7-8,11-12,14H2,1-2H3,(H,24,27)
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n/an/a 82n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146182
PNG
(CHEMBL3765064)
Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COCC(C)(C)C)c2c1
Show InChI InChI=1S/C25H32N2O4/c1-17(2)31-24(29)26-20-13-12-19-11-10-18-8-6-7-9-21(18)27(22(19)14-20)23(28)15-30-16-25(3,4)5/h6-9,12-14,17H,10-11,15-16H2,1-5H3,(H,26,29)
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n/an/a 21n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146183
PNG
(CHEMBL3765692)
Show SMILES CCC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc12
Show InChI InChI=1S/C24H30N2O4/c1-5-17(4)29-15-23(27)26-21-9-7-6-8-18(21)10-11-19-12-13-20(14-22(19)26)25-24(28)30-16(2)3/h6-9,12-14,16-17H,5,10-11,15H2,1-4H3,(H,25,28)
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n/an/a 35n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146184
PNG
(CHEMBL3763758)
Show SMILES CC(C)OCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc12
Show InChI InChI=1S/C23H28N2O4/c1-15(2)28-14-22(26)25-20-8-6-5-7-17(20)9-10-18-11-12-19(13-21(18)25)24-23(27)29-16(3)4/h5-8,11-13,15-16H,9-10,14H2,1-4H3,(H,24,27)
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n/an/a 60n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146188
PNG
(CHEMBL3764414)
Show SMILES CCOCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc12
Show InChI InChI=1S/C22H26N2O4/c1-4-27-14-21(25)24-19-8-6-5-7-16(19)9-10-17-11-12-18(13-20(17)24)23-22(26)28-15(2)3/h5-8,11-13,15H,4,9-10,14H2,1-3H3,(H,23,26)
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n/an/a 1.14E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146189
PNG
(CHEMBL3764750)
Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1
Show InChI InChI=1S/C24H25N3O3/c1-17(2)30-24(29)25-20-12-11-19-10-9-18-7-3-4-8-21(18)27(22(19)15-20)23(28)16-26-13-5-6-14-26/h3-8,11-15,17H,9-10,16H2,1-2H3,(H,25,29)
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n/an/a 21n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146190
PNG
(CHEMBL3763803)
Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN3CCCCC3)c2c1
Show InChI InChI=1S/C25H31N3O3/c1-18(2)31-25(30)26-21-13-12-20-11-10-19-8-4-5-9-22(19)28(23(20)16-21)24(29)17-27-14-6-3-7-15-27/h4-5,8-9,12-13,16,18H,3,6-7,10-11,14-15,17H2,1-2H3,(H,26,30)
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n/an/a 249n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146191
PNG
(CHEMBL3764215)
Show SMILES CCCN(CCC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc12
Show InChI InChI=1S/C26H35N3O3/c1-5-15-28(16-6-2)18-25(30)29-23-10-8-7-9-20(23)11-12-21-13-14-22(17-24(21)29)27-26(31)32-19(3)4/h7-10,13-14,17,19H,5-6,11-12,15-16,18H2,1-4H3,(H,27,31)
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n/an/a 116n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146192
PNG
(CHEMBL1481581)
Show SMILES CCN(CC)CCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc12
Show InChI InChI=1S/C25H33N3O3/c1-5-27(6-2)16-15-24(29)28-22-10-8-7-9-19(22)11-12-20-13-14-21(17-23(20)28)26-25(30)31-18(3)4/h7-10,13-14,17-18H,5-6,11-12,15-16H2,1-4H3,(H,26,30)
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n/an/a 6.40E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146193
PNG
(CHEMBL3764035)
Show SMILES CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(Nc3nnc(C)o3)cc12
Show InChI InChI=1S/C23H27N5O2/c1-4-27(5-2)15-22(29)28-20-9-7-6-8-17(20)10-11-18-12-13-19(14-21(18)28)24-23-26-25-16(3)30-23/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,24,26)
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n/an/a 1.88E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146194
PNG
(CHEMBL3764542)
Show SMILES CCNS(=O)(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(CC)CC)c2c1
Show InChI InChI=1S/C22H30N4O3S/c1-4-23-30(28,29)24-19-14-13-18-12-11-17-9-7-8-10-20(17)26(21(18)15-19)22(27)16-25(5-2)6-3/h7-10,13-15,23-24H,4-6,11-12,16H2,1-3H3
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n/an/a 1.91E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146195
PNG
(CHEMBL3764538)
Show SMILES CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)N(CC)CC)cc12
Show InChI InChI=1S/C25H34N4O2/c1-5-27(6-2)18-24(30)29-22-12-10-9-11-19(22)13-14-20-15-16-21(17-23(20)29)26-25(31)28(7-3)8-4/h9-12,15-17H,5-8,13-14,18H2,1-4H3,(H,26,31)
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n/an/a 1.40E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146196
PNG
(CHEMBL3763612)
Show SMILES CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)NC(C)(C)C)cc12
Show InChI InChI=1S/C25H34N4O2/c1-6-28(7-2)17-23(30)29-21-11-9-8-10-18(21)12-13-19-14-15-20(16-22(19)29)26-24(31)27-25(3,4)5/h8-11,14-16H,6-7,12-13,17H2,1-5H3,(H2,26,27,31)
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n/an/a 1.30E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146197
PNG
(CHEMBL3764699)
Show SMILES CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)NC(C)C)cc12
Show InChI InChI=1S/C24H32N4O2/c1-5-27(6-2)16-23(29)28-21-10-8-7-9-18(21)11-12-19-13-14-20(15-22(19)28)26-24(30)25-17(3)4/h7-10,13-15,17H,5-6,11-12,16H2,1-4H3,(H2,25,26,30)
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n/an/a 4.93E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146313
PNG
(CHEMBL3764161)
Show SMILES CCNC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(CC)CC)c2c1
Show InChI InChI=1S/C23H30N4O2/c1-4-24-23(29)25-19-14-13-18-12-11-17-9-7-8-10-20(17)27(21(18)15-19)22(28)16-26(5-2)6-3/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H2,24,25,29)
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n/an/a 1.44E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146314
PNG
(CHEMBL3764283)
Show SMILES CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)(C)C)cc12
Show InChI InChI=1S/C25H33N3O3/c1-6-27(7-2)17-23(29)28-21-11-9-8-10-18(21)12-13-19-14-15-20(16-22(19)28)26-24(30)31-25(3,4)5/h8-11,14-16H,6-7,12-13,17H2,1-5H3,(H,26,30)
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n/an/a 1.03E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146315
PNG
(CHEMBL3764651)
Show SMILES CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc12
Show InChI InChI=1S/C24H31N3O3/c1-5-26(6-2)16-23(28)27-21-10-8-7-9-18(21)11-12-19-13-14-20(15-22(19)27)25-24(29)30-17(3)4/h7-10,13-15,17H,5-6,11-12,16H2,1-4H3,(H,25,29)
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n/an/a 680n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146316
PNG
(CHEMBL3765187)
Show SMILES CCCC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(CC)CC)c2c1
Show InChI InChI=1S/C24H31N3O2/c1-4-9-23(28)25-20-15-14-19-13-12-18-10-7-8-11-21(18)27(22(19)16-20)24(29)17-26(5-2)6-3/h7-8,10-11,14-16H,4-6,9,12-13,17H2,1-3H3,(H,25,28)
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n/an/a 2.32E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146317
PNG
(CHEMBL3765243)
Show SMILES CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COC(C)(C)C)c2c1
Show InChI InChI=1S/C23H28N2O4/c1-5-28-22(27)24-18-13-12-17-11-10-16-8-6-7-9-19(16)25(20(17)14-18)21(26)15-29-23(2,3)4/h6-9,12-14H,5,10-11,15H2,1-4H3,(H,24,27)
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n/an/a 71n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146318
PNG
(CHEMBL3765099)
Show SMILES CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CCN3CCCC3)c2c1
Show InChI InChI=1S/C24H29N3O3/c1-2-30-24(29)25-20-12-11-19-10-9-18-7-3-4-8-21(18)27(22(19)17-20)23(28)13-16-26-14-5-6-15-26/h3-4,7-8,11-12,17H,2,5-6,9-10,13-16H2,1H3,(H,25,29)
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n/an/a 3.18E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146319
PNG
(CHEMBL1411493)
Show SMILES CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CCN(CC)CC)c2c1
Show InChI InChI=1S/C24H31N3O3/c1-4-26(5-2)16-15-23(28)27-21-10-8-7-9-18(21)11-12-19-13-14-20(17-22(19)27)25-24(29)30-6-3/h7-10,13-14,17H,4-6,11-12,15-16H2,1-3H3,(H,25,29)
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n/an/a 2.43E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146320
PNG
(CHEMBL3763719)
Show SMILES CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CNC(C)(C)CC)c2c1
Show InChI InChI=1S/C24H31N3O3/c1-5-24(3,4)25-16-22(28)27-20-10-8-7-9-17(20)11-12-18-13-14-19(15-21(18)27)26-23(29)30-6-2/h7-10,13-15,25H,5-6,11-12,16H2,1-4H3,(H,26,29)
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n/an/a 2.06E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens)
BDBM50146321
PNG
(CHEMBL1380966)
Show SMILES CCNCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OCC)cc12
Show InChI InChI=1S/C21H25N3O3/c1-3-22-14-20(25)24-18-8-6-5-7-15(18)9-10-16-11-12-17(13-19(16)24)23-21(26)27-4-2/h5-8,11-13,22H,3-4,9-10,14H2,1-2H3,(H,23,26)
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n/an/a 2.45E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
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