Compile Data Set for Download or QSAR
Found 466 of ic50 for UniProtKB: O75469
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM21725((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/t15-,17+,18+,20+,21-/m1/s1
Affinity DataIC50: 2.40nMAssay Description:Inhibitory concentration against Pregnane X receptorMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM50226465(CHEMBL402063 | E-guggulsterone | pregna-4,17(20)-c...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/t15-,17+,18+,20+,21-/m1/s1
Affinity DataIC50: 2.40nMAssay Description:Inhibitory concentration against Pregnane X receptorMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429611(US10550091, No. LC-20 | US10947203, No. LC-20)
Show SMILES COc1cc(Br)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H24BrN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3
Affinity DataIC50: 10nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429626(US10550091, No. LC-35 | US10947203, No. LC-35)
Show SMILES COc1cc(C(C)=O)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H24ClN3O4S/c1-13-21(31(28,29)16-9-7-15(8-10-16)22(3,4)5)24-25-26(13)19-12-18(23)17(14(2)27)11-20(19)30-6/h7-12H,1-6H3
Affinity DataIC50: 10nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429621(US10550091, No. LC-30 | US10947203, No. LC-30)
Show SMILES COc1cc(C)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-11-19(28-6)18(12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3
Affinity DataIC50: 10nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429621(US10550091, No. LC-30 | US10947203, No. LC-30)
Show SMILES COc1cc(C)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-11-19(28-6)18(12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3
Affinity DataIC50: 10nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429611(US10550091, No. LC-20 | US10947203, No. LC-20)
Show SMILES COc1cc(Br)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H24BrN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3
Affinity DataIC50: 10nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429599(US10550091, No. LC-8 | US10947203, No. LC-8)
Show SMILES COc1cc(c(OC)cc1F)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H24FN3O4S/c1-13-20(30(26,27)15-9-7-14(8-10-15)21(2,3)4)23-24-25(13)17-12-18(28-5)16(22)11-19(17)29-6/h7-12H,1-6H3
Affinity DataIC50: 10nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429626(US10550091, No. LC-35 | US10947203, No. LC-35)
Show SMILES COc1cc(C(C)=O)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H24ClN3O4S/c1-13-21(31(28,29)16-9-7-15(8-10-16)22(3,4)5)24-25-26(13)19-12-18(23)17(14(2)27)11-20(19)30-6/h7-12H,1-6H3
Affinity DataIC50: 10nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429599(US10550091, No. LC-8 | US10947203, No. LC-8)
Show SMILES COc1cc(c(OC)cc1F)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H24FN3O4S/c1-13-20(30(26,27)15-9-7-14(8-10-15)21(2,3)4)23-24-25(13)17-12-18(28-5)16(22)11-19(17)29-6/h7-12H,1-6H3
Affinity DataIC50: 10nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429627(US10550091, No. LC-36 | US10947203, No. LC-36)
Show SMILES COc1cc(C#N)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H21ClN4O3S/c1-13-20(30(27,28)16-8-6-15(7-9-16)21(2,3)4)24-25-26(13)18-11-17(22)14(12-23)10-19(18)29-5/h6-11H,1-5H3
Affinity DataIC50: 10nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429627(US10550091, No. LC-36 | US10947203, No. LC-36)
Show SMILES COc1cc(C#N)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H21ClN4O3S/c1-13-20(30(27,28)16-8-6-15(7-9-16)21(2,3)4)24-25-26(13)18-11-17(22)14(12-23)10-19(18)29-5/h6-11H,1-5H3
Affinity DataIC50: 10nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429660(US10550091, No. LC-69 | US10947203, No. LC-69)
Show SMILES COc1ccc(Cl)cc1-c1ncc([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H21ClN2O3S/c1-20(2,3)13-5-8-15(9-6-13)27(24,25)18-12-22-19(23-18)16-11-14(21)7-10-17(16)26-4/h5-12H,1-4H3,(H,22,23)
Affinity DataIC50: 12.3nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429660(US10550091, No. LC-69 | US10947203, No. LC-69)
Show SMILES COc1ccc(Cl)cc1-c1ncc([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H21ClN2O3S/c1-20(2,3)13-5-8-15(9-6-13)27(24,25)18-12-22-19(23-18)16-11-14(21)7-10-17(16)26-4/h5-12H,1-4H3,(H,22,23)
Affinity DataIC50: 12.3nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429662(US10550091, No. LC-71 | US10947203, No. LC-71)
Show SMILES COc1ccc(C)cc1-c1ncc(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O3S/c1-15-7-12-19(27-6)18(13-15)21-23-14-20(24(21)5)28(25,26)17-10-8-16(9-11-17)22(2,3)4/h7-14H,1-6H3
Affinity DataIC50: 20nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429664(US10550091, No. LC-73 | US10947203, No. LC-73)
Show SMILES COc1ccc(OC)c(c1)-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O4S/c1-14-21(29(25,26)17-10-7-15(8-11-17)22(2,3)4)24-20(23-14)18-13-16(27-5)9-12-19(18)28-6/h7-13H,1-6H3,(H,23,24)
Affinity DataIC50: 20nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM21673(N-[4-(1,1,1,3,3,4,4,5,5,5-decafluoro-2-hydroxypent...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C19H12F13NO3S/c20-14(21,22)10-33(37(35,36)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(34,18(27,28)29)16(23,24)17(25,26)19(30,31)32/h1-9,34H,10H2
Affinity DataIC50: 20nM EC50:  10nMpH: 8.0 T: 2°CAssay Description:Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA....More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429620(US10550091, No. LC-29 | US10947203, No. LC-29)
Show SMILES COc1cc(Br)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H21BrClN3O3S/c1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5/h6-11H,1-5H3
Affinity DataIC50: 20nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429620(US10550091, No. LC-29 | US10947203, No. LC-29)
Show SMILES COc1cc(Br)c(Cl)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H21BrClN3O3S/c1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5/h6-11H,1-5H3
Affinity DataIC50: 20nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429664(US10550091, No. LC-73 | US10947203, No. LC-73)
Show SMILES COc1ccc(OC)c(c1)-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O4S/c1-14-21(29(25,26)17-10-7-15(8-11-17)22(2,3)4)24-20(23-14)18-13-16(27-5)9-12-19(18)28-6/h7-13H,1-6H3,(H,23,24)
Affinity DataIC50: 20nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429662(US10550091, No. LC-71 | US10947203, No. LC-71)
Show SMILES COc1ccc(C)cc1-c1ncc(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O3S/c1-15-7-12-19(27-6)18(13-15)21-23-14-20(24(21)5)28(25,26)17-10-8-16(9-11-17)22(2,3)4/h7-14H,1-6H3
Affinity DataIC50: 20nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429515(US10550091, No. LC-1 | US10947203, No. LC-1)
Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H25N3O4S/c1-14-20(29(25,26)17-10-7-15(8-11-17)21(2,3)4)22-23-24(14)18-13-16(27-5)9-12-19(18)28-6/h7-13H,1-6H3
Affinity DataIC50: 24nMAssay Description:Inverse agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM21670(N-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)...)
Show SMILES OC(C1CCCCC1)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H23F6NO3S/c23-20(24,25)15-29(33(31,32)19-9-5-2-6-10-19)18-13-11-17(12-14-18)21(30,22(26,27)28)16-7-3-1-4-8-16/h2,5-6,9-14,16,30H,1,3-4,7-8,15H2
Affinity DataIC50: 25nM EC50:  3nMpH: 8.0 T: 2°CAssay Description:Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA....More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429675(US10550091, No. LC-84 | US10947203, No. LC-84)
Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1O)C(C)(C)C
Show InChI InChI=1S/C21H25N3O5S/c1-13-20(22-23-24(13)16-12-15(28-5)8-9-18(16)29-6)30(26,27)19-10-7-14(11-17(19)25)21(2,3)4/h7-12,25H,1-6H3
Affinity DataIC50: 30nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429675(US10550091, No. LC-84 | US10947203, No. LC-84)
Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1O)C(C)(C)C
Show InChI InChI=1S/C21H25N3O5S/c1-13-20(22-23-24(13)16-12-15(28-5)8-9-18(16)29-6)30(26,27)19-10-7-14(11-17(19)25)21(2,3)4/h7-12,25H,1-6H3
Affinity DataIC50: 30nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429608(US10550091, No. LC-17 | US10947203, No. LC-17)
Show SMILES COc1cc(c(OC)cc1C#N)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H24N4O4S/c1-14-21(31(27,28)17-9-7-16(8-10-17)22(2,3)4)24-25-26(14)18-12-19(29-5)15(13-23)11-20(18)30-6/h7-12H,1-6H3
Affinity DataIC50: 30nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429609(US10550091, No. LC-18 | US10947203, No. LC-18)
Show SMILES COc1cc(F)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H24FN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3
Affinity DataIC50: 30nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429669(US10550091, No. LC-78 | US10947203, No. LC-78)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H25ClN2O3S/c1-14-21(29(26,27)17-10-7-15(8-11-17)22(2,3)4)25(5)20(24-14)18-13-16(23)9-12-19(18)28-6/h7-13H,1-6H3
Affinity DataIC50: 30nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429669(US10550091, No. LC-78 | US10947203, No. LC-78)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H25ClN2O3S/c1-14-21(29(26,27)17-10-7-15(8-11-17)22(2,3)4)25(5)20(24-14)18-13-16(23)9-12-19(18)28-6/h7-13H,1-6H3
Affinity DataIC50: 30nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429608(US10550091, No. LC-17 | US10947203, No. LC-17)
Show SMILES COc1cc(c(OC)cc1C#N)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H24N4O4S/c1-14-21(31(27,28)17-9-7-16(8-10-17)22(2,3)4)24-25-26(14)18-12-19(29-5)15(13-23)11-20(18)30-6/h7-12H,1-6H3
Affinity DataIC50: 30nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429609(US10550091, No. LC-18 | US10947203, No. LC-18)
Show SMILES COc1cc(F)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H24FN3O3S/c1-13-11-18(19(28-6)12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5/h7-12H,1-6H3
Affinity DataIC50: 30nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

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 DataIC50: 36nMAssay Description:Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429673(US10550091, No. LC-82 | US10550091, No. LC-88 | US...)
Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(c(O)c1)C(C)(C)C
Show InChI InChI=1S/C21H25N3O5S/c1-13-20(22-23-24(13)17-11-14(28-5)7-10-19(17)29-6)30(26,27)15-8-9-16(18(25)12-15)21(2,3)4/h7-12,25H,1-6H3
Affinity DataIC50: 40nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

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 DataIC50: 40nM EC50:  13nMpH: 8.0 T: 2°CAssay Description:Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA....More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429678(US10550091, No. LC-87 | US10947203, No. LC-87)
Show SMILES COc1ccc(O)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H23N3O4S/c1-13-19(21-22-23(13)17-12-15(24)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)20(2,3)4/h6-12,24H,1-5H3
Affinity DataIC50: 40nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429678(US10550091, No. LC-87 | US10947203, No. LC-87)
Show SMILES COc1ccc(O)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H23N3O4S/c1-13-19(21-22-23(13)17-12-15(24)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)20(2,3)4/h6-12,24H,1-5H3
Affinity DataIC50: 40nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM486281(US10947203, No. LC-82)
Show SMILES COc1ccc(O)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(c(O)c1)C(C)(C)C
Show InChI InChI=1S/C20H23N3O5S/c1-12-19(21-22-23(12)16-10-13(24)6-9-18(16)28-5)29(26,27)14-7-8-15(17(25)11-14)20(2,3)4/h6-11,24-25H,1-5H3
Affinity DataIC50: 40nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM50575432(CHEMBL4857525)
Show SMILES COc1ccc(Br)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H22BrN3O3S/c1-13-19(22-23-24(13)17-12-15(21)8-11-18(17)27-5)28(25,26)16-9-6-14(7-10-16)20(2,3)4/h6-12H,1-5H3
Affinity DataIC50: 50nMAssay Description:Inverse agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM50575435(CHEMBL4846228)
Show SMILES COc1ccc(cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C#N
Show InChI InChI=1S/C21H22N4O3S/c1-14-20(29(26,27)17-9-7-16(8-10-17)21(2,3)4)23-24-25(14)18-12-15(13-22)6-11-19(18)28-5/h6-12H,1-5H3
Affinity DataIC50: 50nMAssay Description:Inverse agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429665(US10550091, No. LC-74 | US10947203, No. LC-74)
Show SMILES COc1ccc(C)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O3S/c1-14-7-12-19(27-6)18(13-14)20-23-15(2)21(24-20)28(25,26)17-10-8-16(9-11-17)22(3,4)5/h7-13H,1-6H3,(H,23,24)
Affinity DataIC50: 60nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429652(US10550091, No. LC-61 | US10947203, No. LC-61)
Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1Br)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H22BrN3O4S/c1-20(2,3)13-6-9-15(10-7-13)29(25,26)19-18(21)24(23-22-19)16-12-14(27-4)8-11-17(16)28-5/h6-12H,1-5H3
Affinity DataIC50: 60nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429652(US10550091, No. LC-61 | US10947203, No. LC-61)
Show SMILES COc1ccc(OC)c(c1)-n1nnc(c1Br)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H22BrN3O4S/c1-20(2,3)13-6-9-15(10-7-13)29(25,26)19-18(21)24(23-22-19)16-12-14(27-4)8-11-17(16)28-5/h6-12H,1-5H3
Affinity DataIC50: 60nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429633(US10550091, No. LC-42 | US10947203, No. LC-42)
Show SMILES COc1ccc(Cl)cc1-n1nnc(C(=O)c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C21H22ClN3O2/c1-13-19(20(26)14-6-8-15(9-7-14)21(2,3)4)23-24-25(13)17-12-16(22)10-11-18(17)27-5/h6-12H,1-5H3
Affinity DataIC50: 60nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429633(US10550091, No. LC-42 | US10947203, No. LC-42)
Show SMILES COc1ccc(Cl)cc1-n1nnc(C(=O)c2ccc(cc2)C(C)(C)C)c1C
Show InChI InChI=1S/C21H22ClN3O2/c1-13-19(20(26)14-6-8-15(9-7-14)21(2,3)4)23-24-25(13)17-12-16(22)10-11-18(17)27-5/h6-12H,1-5H3
Affinity DataIC50: 60nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429665(US10550091, No. LC-74 | US10947203, No. LC-74)
Show SMILES COc1ccc(C)cc1-c1nc(C)c([nH]1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O3S/c1-14-7-12-19(27-6)18(13-14)20-23-15(2)21(24-20)28(25,26)17-10-8-16(9-11-17)22(3,4)5/h7-13H,1-6H3,(H,23,24)
Affinity DataIC50: 60nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429642(US10550091, No. LC-51 | US10947203, No. LC-51)
Show SMILES COc1ccc(Cl)cc1-n1nnc(c1C#N)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H19ClN4O3S/c1-20(2,3)13-5-8-15(9-6-13)29(26,27)19-17(12-22)25(24-23-19)16-11-14(21)7-10-18(16)28-4/h5-11H,1-4H3
Affinity DataIC50: 61nMAssay Description:Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM21671(N-[4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phen...)
Show SMILES OC(c1ccccc1)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H17F6NO3S/c23-20(24,25)15-29(33(31,32)19-9-5-2-6-10-19)18-13-11-17(12-14-18)21(30,22(26,27)28)16-7-3-1-4-8-16/h1-14,30H,15H2
Affinity DataIC50: 63nM EC50:  16nMpH: 8.0 T: 2°CAssay Description:Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA....More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429668(US10550091, No. LC-77 | US10947203, No. LC-77)
Show SMILES COc1ccc(C)cc1-c1nc(C)c(n1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H28N2O3S/c1-15-8-13-20(28-7)19(14-15)21-24-16(2)22(25(21)6)29(26,27)18-11-9-17(10-12-18)23(3,4)5/h8-14H,1-7H3
Affinity DataIC50: 70nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429604(US10550091, No. LC-13 | US10947203, No. LC-13)
Show SMILES COc1cc(c(OC)cc1C(C)C)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H31N3O4S/c1-15(2)19-13-22(31-8)20(14-21(19)30-7)27-16(3)23(25-26-27)32(28,29)18-11-9-17(10-12-18)24(4,5)6/h9-15H,1-8H3
Affinity DataIC50: 70nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Universit£ di Perugia

Curated by ChEMBL
LigandPNGBDBM429617(US10550091, No. LC-26 | US10947203, No. LC-26)
Show SMILES COc1cc(C(C)=O)c(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H27N3O4S/c1-14-12-20(21(30-7)13-19(14)16(3)27)26-15(2)22(24-25-26)31(28,29)18-10-8-17(9-11-18)23(4,5)6/h8-13H,1-7H3
Affinity DataIC50: 70nMAssay Description:The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer's instruct...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Displayed 1 to 50 (of 466 total ) | Next | Last >>
Jump to: