Compile Data Set for Download or QSAR
Found 256 Enz. Inhib. hit(s) with all data for entry = 50009597
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530341(CHEMBL4471255)
Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1
Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)
Affinity DataEC50:  3.64E+4nMAssay Description:Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530342(CHEMBL4458208)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2ccc(Cl)c3CCCc23)n1
Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-4-5-11(9-3-1-2-8(9)10)18-13-6-12(17)19-15(20-13)23-7-14(21)22/h4-6H,1-3,7H2,(H,21,22)(H,18,19,20)
Affinity DataEC50:  3.80E+3nMAssay Description:Activation of human Gal4-fused RXRbeta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24555(2-{[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)pyr...)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
Show InChI InChI=1S/C15H14ClN3O2S/c16-12-7-13(19-15(18-12)22-8-14(20)21)17-11-6-2-4-9-3-1-5-10(9)11/h2,4,6-7H,1,3,5,8H2,(H,20,21)(H,17,18,19)
Affinity DataEC50:  5.60E+3nMAssay Description:Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530343(CHEMBL4533202)
Show SMILES Cc1c(C)c(Nc2cc(Cl)nc(SCC(O)=O)n2)ccc1Br
Show InChI InChI=1S/C14H13BrClN3O2S/c1-7-8(2)10(4-3-9(7)15)17-12-5-11(16)18-14(19-12)22-6-13(20)21/h3-5H,6H2,1-2H3,(H,20,21)(H,17,18,19)
Affinity DataEC50:  1.00E+4nMAssay Description:Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50249883(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Show SMILES CCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C17H20ClN3O2S/c1-4-6-13(16(22)23)24-17-20-14(18)9-15(21-17)19-12-8-5-7-10(2)11(12)3/h5,7-9,13H,4,6H2,1-3H3,(H,22,23)(H,19,20,21)
Affinity DataEC50:  5.50E+3nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530340(CHEMBL4459701)
Show SMILES Cc1cccc(Nc2cc(Br)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14BrN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
Affinity DataEC50:  1.60E+4nMAssay Description:Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530344(CHEMBL4558880)
Show SMILES CN(c1cc(nc(OCCC(O)=O)n1)C(F)(F)F)c1cccc2CCCc12
Show InChI InChI=1S/C18H18F3N3O3/c1-24(13-7-3-5-11-4-2-6-12(11)13)15-10-14(18(19,20)21)22-17(23-15)27-9-8-16(25)26/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,25,26)
Affinity DataEC50:  360nMAssay Description:Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530345(CHEMBL4439052)
Show SMILES Cc1cc(Nc2cccc(C)c2C)nc(SCC(O)=O)n1
Show InChI InChI=1S/C15H17N3O2S/c1-9-5-4-6-12(11(9)3)17-13-7-10(2)16-15(18-13)21-8-14(19)20/h4-7H,8H2,1-3H3,(H,19,20)(H,16,17,18)
Affinity DataEC50:  2.10E+4nMAssay Description:Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530346(CHEMBL4575123)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1
Show InChI InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20)
Affinity DataEC50:  2.10E+3nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24566(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
Affinity DataEC50:  1.30E+4nMAssay Description:Activation of human Gal4-fused RXRbeta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530345(CHEMBL4439052)
Show SMILES Cc1cc(Nc2cccc(C)c2C)nc(SCC(O)=O)n1
Show InChI InChI=1S/C15H17N3O2S/c1-9-5-4-6-12(11(9)3)17-13-7-10(2)16-15(18-13)21-8-14(19)20/h4-7H,8H2,1-3H3,(H,19,20)(H,16,17,18)
Affinity DataEC50:  2.23E+4nMAssay Description:Activation of human Gal4-fused RXRbeta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530343(CHEMBL4533202)
Show SMILES Cc1c(C)c(Nc2cc(Cl)nc(SCC(O)=O)n2)ccc1Br
Show InChI InChI=1S/C14H13BrClN3O2S/c1-7-8(2)10(4-3-9(7)15)17-12-5-11(16)18-14(19-12)22-6-13(20)21/h3-5H,6H2,1-2H3,(H,20,21)(H,17,18,19)
Affinity DataEC50:  1.03E+4nMAssay Description:Activation of human Gal4-fused RXRbeta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530346(CHEMBL4575123)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1
Show InChI InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20)
Affinity DataEC50:  1.20E+3nMAssay Description:Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530341(CHEMBL4471255)
Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1
Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)
Affinity DataEC50:  5.20E+4nMAssay Description:Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530339(CHEMBL4518775)
Show SMILES OC(=O)CCOc1nc(Nc2cccc3CCCc23)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)13-9-14(23-16(22-13)26-8-7-15(24)25)21-12-6-2-4-10-3-1-5-11(10)12/h2,4,6,9H,1,3,5,7-8H2,(H,24,25)(H,21,22,23)
Affinity DataEC50:  4.10E+3nMAssay Description:Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530340(CHEMBL4459701)
Show SMILES Cc1cccc(Nc2cc(Br)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14BrN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
Affinity DataEC50:  5.20E+3nMAssay Description:Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C18H22ClN3O2S/c1-4-5-9-14(17(23)24)25-18-21-15(19)10-16(22-18)20-13-8-6-7-11(2)12(13)3/h6-8,10,14H,4-5,9H2,1-3H3,(H,23,24)(H,20,21,22)
Affinity DataKd:  1.28E+3nMAssay Description:Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530341(CHEMBL4471255)
Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1
Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)
Affinity DataEC50:  3.64E+4nMAssay Description:Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530340(CHEMBL4459701)
Show SMILES Cc1cccc(Nc2cc(Br)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14BrN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
Affinity DataEC50:  1.70E+4nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24555(2-{[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)pyr...)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
Show InChI InChI=1S/C15H14ClN3O2S/c16-12-7-13(19-15(18-12)22-8-14(20)21)17-11-6-2-4-9-3-1-5-10(9)11/h2,4,6-7H,1,3,5,8H2,(H,20,21)(H,17,18,19)
Affinity DataEC50: >1.00E+5nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataEC50:  6nMAssay Description:Agonist activity RARgamma (unknown origin) assessed as induction of receptor transactivationMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530347(CHEMBL4514313)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1
Show InChI InChI=1S/C13H12ClN3O2S/c1-8-3-2-4-9(5-8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)
Affinity DataEC50:  2.80E+4nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM19993(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
Affinity DataEC50:  50nMAssay Description:Agonist activity LXRalpha (unknown origin)More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530348(CHEMBL4536821)
Show SMILES CCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C16H18ClN3O2S/c1-4-12(15(21)22)23-16-19-13(17)8-14(20-16)18-11-7-5-6-9(2)10(11)3/h5-8,12H,4H2,1-3H3,(H,21,22)(H,18,19,20)
Affinity DataEC50:  1.20E+4nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530346(CHEMBL4575123)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1
Show InChI InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20)
Affinity DataEC50:  7.10E+3nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273680(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SC(C)(C)C(O)=O)n2)c1C
Show InChI InChI=1S/C16H18ClN3O2S/c1-9-6-5-7-11(10(9)2)18-13-8-12(17)19-15(20-13)23-16(3,4)14(21)22/h5-8H,1-4H3,(H,21,22)(H,18,19,20)
Affinity DataEC50:  1.30E+4nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50249883(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Show SMILES CCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C17H20ClN3O2S/c1-4-6-13(16(22)23)24-17-20-14(18)9-15(21-17)19-12-8-5-7-10(2)11(12)3/h5,7-9,13H,4,6H2,1-3H3,(H,22,23)(H,19,20,21)
Affinity DataEC50:  5.50E+3nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C18H22ClN3O2S/c1-4-5-9-14(17(23)24)25-18-21-15(19)10-16(22-18)20-13-8-6-7-11(2)12(13)3/h6-8,10,14H,4-5,9H2,1-3H3,(H,23,24)(H,20,21,22)
Affinity DataEC50:  3.00E+3nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530349(CHEMBL88917)
Show SMILES Cc1cccc(Nc2ccnc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H15N3O2S/c1-9-4-3-5-11(10(9)2)16-12-6-7-15-14(17-12)20-8-13(18)19/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17)
Affinity DataEC50:  3.60E+4nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530350(CHEMBL4439891)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(OCCC(O)=O)n2)c1C
Show InChI InChI=1S/C15H16ClN3O3/c1-9-4-3-5-11(10(9)2)17-13-8-12(16)18-15(19-13)22-7-6-14(20)21/h3-5,8H,6-7H2,1-2H3,(H,20,21)(H,17,18,19)
Affinity DataEC50:  1.40E+4nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24555(2-{[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)pyr...)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
Show InChI InChI=1S/C15H14ClN3O2S/c16-12-7-13(19-15(18-12)22-8-14(20)21)17-11-6-2-4-9-3-1-5-10(9)11/h2,4,6-7H,1,3,5,8H2,(H,20,21)(H,17,18,19)
Affinity DataEC50:  3.80E+4nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530346(CHEMBL4575123)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1
Show InChI InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20)
Affinity DataEC50:  2.10E+3nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530351(CHEMBL4443400)
Show SMILES Cc1c(Cl)ccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H13Cl2N3O2S/c1-7-8(2)10(4-3-9(7)15)17-12-5-11(16)18-14(19-12)22-6-13(20)21/h3-5H,6H2,1-2H3,(H,20,21)(H,17,18,19)
Affinity DataEC50:  4.90E+4nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530342(CHEMBL4458208)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2ccc(Cl)c3CCCc23)n1
Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-4-5-11(9-3-1-2-8(9)10)18-13-6-12(17)19-15(20-13)23-7-14(21)22/h4-6H,1-3,7H2,(H,21,22)(H,18,19,20)
Affinity DataEC50:  3.10E+3nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24566(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
Affinity DataEC50: >1.00E+5nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530352(CHEMBL4548975)
Show SMILES Cc1cccc(Nc2cc(nc(SCC(O)=O)n2)C(F)(F)F)c1C
Show InChI InChI=1S/C15H14F3N3O2S/c1-8-4-3-5-10(9(8)2)19-12-6-11(15(16,17)18)20-14(21-12)24-7-13(22)23/h3-6H,7H2,1-2H3,(H,22,23)(H,19,20,21)
Affinity DataEC50:  6.80E+3nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530341(CHEMBL4471255)
Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1
Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)
Affinity DataEC50:  2.90E+4nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24555(2-{[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)pyr...)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
Show InChI InChI=1S/C15H14ClN3O2S/c16-12-7-13(19-15(18-12)22-8-14(20)21)17-11-6-2-4-9-3-1-5-10(9)11/h2,4,6-7H,1,3,5,8H2,(H,20,21)(H,17,18,19)
Affinity DataEC50: >1.00E+5nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530351(CHEMBL4443400)
Show SMILES Cc1c(Cl)ccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H13Cl2N3O2S/c1-7-8(2)10(4-3-9(7)15)17-12-5-11(16)18-14(19-12)22-6-13(20)21/h3-5H,6H2,1-2H3,(H,20,21)(H,17,18,19)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530353(CHEMBL4465004)
Show SMILES CC(C)N(c1cc(Cl)nc(SCC(O)=O)n1)c1cccc(C)c1C
Show InChI InChI=1S/C17H20ClN3O2S/c1-10(2)21(13-7-5-6-11(3)12(13)4)15-8-14(18)19-17(20-15)24-9-16(22)23/h5-8,10H,9H2,1-4H3,(H,22,23)
Affinity DataEC50:  5.70E+3nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24566(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
Affinity DataKd:  1.28E+3nMAssay Description:Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530339(CHEMBL4518775)
Show SMILES OC(=O)CCOc1nc(Nc2cccc3CCCc23)cc(n1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)13-9-14(23-16(22-13)26-8-7-15(24)25)21-12-6-2-4-10-3-1-5-11(10)12/h2,4,6,9H,1,3,5,7-8H2,(H,24,25)(H,21,22,23)
Affinity DataKd:  880nMAssay Description:Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
Affinity DataKd:  210nMAssay Description:Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530346(CHEMBL4575123)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1
Show InChI InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20)
Affinity DataKd:  870nMAssay Description:Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50530344(CHEMBL4558880)
Show SMILES CN(c1cc(nc(OCCC(O)=O)n1)C(F)(F)F)c1cccc2CCCc12
Show InChI InChI=1S/C18H18F3N3O3/c1-24(13-7-3-5-11-4-2-6-12(11)13)15-10-14(18(19,20)21)22-17(23-15)27-9-8-16(25)26/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,25,26)
Affinity DataKd:  950nMAssay Description:Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataEC50:  38nMAssay Description:Agonist activity RARbeta (unknown origin) assessed as induction of receptor transactivationMore data for this Ligand-Target Pair
TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM31883(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
Affinity DataEC50:  6nMAssay Description:Agonist activity RARgamma (unknown origin) assessed as induction of receptor transactivationMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM19993(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
Affinity DataEC50:  50nMAssay Description:Agonist activity LXRbeta (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 3(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50030476(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+
Affinity DataEC50:  49nMAssay Description:Agonist activity at Polyhistidine-tagged human CAR LBD expressed in Escherichia coli by FRET-based assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-gamma(Homo sapiens (Human))
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50032675(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
Affinity DataEC50:  25nMAssay Description:Agonist activity RXRgamma (unknown origin)More data for this Ligand-Target Pair
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