Compile Data Set for Download or QSAR

PubMed code 28735214

Found 54 hits of Enzyme Inhibition Constant Data   

TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276796(CHEMBL4170306)
Show SMILES CN1CCC[C@H]1CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H22ClF3N4O2S/c1-31-8-2-3-19(31)14-32-23(34)22(36-24(32)35)10-15-4-7-21-17(9-15)12-30-33(21)13-16-5-6-18(26)11-20(16)25(27,28)29/h4-7,9-12,19H,2-3,8,13-14H2,1H3/b22-10-/t19-/m0/s1
Affinity DataIC50: 5nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276802(4-OHT | Afimoxifene | TamoGel)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
Affinity DataIC50: 6.30nMAssay Description:Inhibition of fluormone ES2 green binding to recombinant full length human ERalpha expressed in insect cells by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
Affinity DataIC50: 6.70nMAssay Description:Inhibition of fluormone ES2 binding to recombinant full length human ERbeta expressed in insect cells by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276818(CHEMBL4161346)
Show SMILES COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(C5CCC(CC5)C(O)=O)C4=O)ccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H24F3N3O5S/c1-38-20-8-5-17(21(12-20)27(28,29)30)14-32-22-9-2-15(10-18(22)13-31-32)11-23-24(34)33(26(37)39-23)19-6-3-16(4-7-19)25(35)36/h2,5,8-13,16,19H,3-4,6-7,14H2,1H3,(H,35,36)/b23-11-
Affinity DataIC50: 8nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276805(CHEMBL4166492)
Show SMILES CC(=O)NS(=O)(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C22H16ClF3N4O5S2/c1-12(31)28-37(34,35)11-29-20(32)19(36-21(29)33)7-13-2-5-18-15(6-13)9-27-30(18)10-14-3-4-16(23)8-17(14)22(24,25)26/h2-9H,10-11H2,1H3,(H,28,31)/b19-7-
Affinity DataIC50: 8nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276803(CHEMBL4169272)
Show SMILES COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CCN5CCOCC5)C4=O)ccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O4S/c1-36-20-4-3-18(21(14-20)26(27,28)29)16-33-22-5-2-17(12-19(22)15-30-33)13-23-24(34)32(25(35)38-23)7-6-31-8-10-37-11-9-31/h2-5,12-15H,6-11,16H2,1H3/b23-13-
Affinity DataIC50: 8nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276817(CHEMBL4159613)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C21H13ClF3N3O4S/c22-14-3-2-12(15(7-14)21(23,24)25)9-28-16-4-1-11(5-13(16)8-26-28)6-17-19(31)27(10-18(29)30)20(32)33-17/h1-8H,9-10H2,(H,29,30)/b17-6-
Affinity DataIC50: 9nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276834(CHEMBL4163909)
Show SMILES COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CC(O)=O)C4=O)ccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3O5S/c1-33-15-4-3-13(16(8-15)22(23,24)25)10-28-17-5-2-12(6-14(17)9-26-28)7-18-20(31)27(11-19(29)30)21(32)34-18/h2-9H,10-11H2,1H3,(H,29,30)/b18-7-
Affinity DataIC50: 9nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetEstrogen-related receptor gamma(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276802(4-OHT | Afimoxifene | TamoGel)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
Affinity DataIC50: 11nMAssay Description:Antagonist activity at ERRgamma (unknown origin) assessed as inhibition of co-activator peptide recruitment by TR-FRET assayMore data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276816(CHEMBL4166832)
Show SMILES OC(=O)C1CCC(CC1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C26H21ClF3N3O4S/c27-18-5-2-16(20(11-18)26(28,29)30)13-32-21-8-1-14(9-17(21)12-31-32)10-22-23(34)33(25(37)38-22)19-6-3-15(4-7-19)24(35)36/h1-2,5,8-12,15,19H,3-4,6-7,13H2,(H,35,36)/b22-10-
Affinity DataIC50: 12nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276822(CHEMBL4165363)
Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(Cc4nnn[nH]4)C3=O)ccc12
Show InChI InChI=1S/C21H13ClF3N7O2S/c22-14-3-2-12(15(7-14)21(23,24)25)9-32-16-4-1-11(5-13(16)8-26-32)6-17-19(33)31(20(34)35-17)10-18-27-29-30-28-18/h1-8H,9-10H2,(H,27,28,29,30)/b17-6-
Affinity DataIC50: 13nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276811(CHEMBL4172522)
Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(C[C@H]4COCCN4)C3=O)ccc12
Show InChI InChI=1S/C24H20ClF3N4O3S/c25-17-3-2-15(19(9-17)24(26,27)28)11-32-20-4-1-14(7-16(20)10-30-32)8-21-22(33)31(23(34)36-21)12-18-13-35-6-5-29-18/h1-4,7-10,18,29H,5-6,11-13H2/b21-8-/t18-/m0/s1
Affinity DataIC50: 15nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276830(CHEMBL4172209)
Show SMILES OCCN1CCC(CC1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C26H24ClF3N4O3S/c27-19-3-2-17(21(13-19)26(28,29)30)15-33-22-4-1-16(11-18(22)14-31-33)12-23-24(36)34(25(37)38-23)20-5-7-32(8-6-20)9-10-35/h1-4,11-14,20,35H,5-10,15H2/b23-12-
Affinity DataIC50: 15nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276814(CHEMBL4163054)
Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(C4CCNCC4)C3=O)ccc12
Show InChI InChI=1S/C24H20ClF3N4O2S/c25-17-3-2-15(19(11-17)24(26,27)28)13-31-20-4-1-14(9-16(20)12-30-31)10-21-22(33)32(23(34)35-21)18-5-7-29-8-6-18/h1-4,9-12,18,29H,5-8,13H2/b21-10-
Affinity DataIC50: 16nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276795(CHEMBL4163375)
Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(CCN4CCCC4)C3=O)ccc12
Show InChI InChI=1S/C25H22ClF3N4O2S/c26-19-5-4-17(20(13-19)25(27,28)29)15-33-21-6-3-16(11-18(21)14-30-33)12-22-23(34)32(24(35)36-22)10-9-31-7-1-2-8-31/h3-6,11-14H,1-2,7-10,15H2/b22-12-
Affinity DataIC50: 17nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276835(CHEMBL4173278)
Show SMILES CS(=O)(=O)NC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C22H16ClF3N4O5S2/c1-37(34,35)28-19(31)11-29-20(32)18(36-21(29)33)7-12-2-5-17-14(6-12)9-27-30(17)10-13-3-4-15(23)8-16(13)22(24,25)26/h2-9H,10-11H2,1H3,(H,28,31)/b18-7-
Affinity DataIC50: 18nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276836(CHEMBL4173757)
Show SMILES CN1CCC(CC1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H22ClF3N4O2S/c1-31-8-6-19(7-9-31)33-23(34)22(36-24(33)35)11-15-2-5-21-17(10-15)13-30-32(21)14-16-3-4-18(26)12-20(16)25(27,28)29/h2-5,10-13,19H,6-9,14H2,1H3/b22-11-
Affinity DataIC50: 19nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276823(CHEMBL4177113)
Show SMILES NS(=O)(=O)NC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C21H15ClF3N5O5S2/c22-14-3-2-12(15(7-14)21(23,24)25)9-30-16-4-1-11(5-13(16)8-27-30)6-17-19(32)29(20(33)36-17)10-18(31)28-37(26,34)35/h1-8H,9-10H2,(H,28,31)(H2,26,34,35)/b17-6-
Affinity DataIC50: 19nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276812(CHEMBL4164196)
Show SMILES CN1CC[C@@H]([C@@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m0/s1
Affinity DataIC50: 22nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276831(CHEMBL4164640)
Show SMILES N[C@@H](CO)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C22H18ClF3N4O3S/c23-15-3-2-13(17(7-15)22(24,25)26)9-30-18-4-1-12(5-14(18)8-28-30)6-19-20(32)29(21(33)34-19)10-16(27)11-31/h1-8,16,31H,9-11,27H2/b19-6-/t16-/m1/s1
Affinity DataIC50: 23nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 23nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276833(CHEMBL4175927)
Show SMILES CN1CC[C@H]([C@H](O)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H22ClF3N4O3S/c1-31-7-6-20(21(34)13-31)33-23(35)22(37-24(33)36)9-14-2-5-19-16(8-14)11-30-32(19)12-15-3-4-17(26)10-18(15)25(27,28)29/h2-5,8-11,20-21,34H,6-7,12-13H2,1H3/b22-9-/t20-,21-/m1/s1
Affinity DataIC50: 23nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276824(CHEMBL4169919)
Show SMILES CN(C)S(=O)(=O)NC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C23H19ClF3N5O5S2/c1-30(2)39(36,37)29-20(33)12-31-21(34)19(38-22(31)35)8-13-3-6-18-15(7-13)10-28-32(18)11-14-4-5-16(24)9-17(14)23(25,26)27/h3-10H,11-12H2,1-2H3,(H,29,33)/b19-8-
Affinity DataIC50: 23nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276825(CHEMBL4161594)
Show SMILES C[C@H](N)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C22H18ClF3N4O2S/c1-12(27)10-29-20(31)19(33-21(29)32)7-13-2-5-18-15(6-13)9-28-30(18)11-14-3-4-16(23)8-17(14)22(24,25)26/h2-9,12H,10-11,27H2,1H3/b19-7-/t12-/m0/s1
Affinity DataIC50: 24nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276832(CHEMBL4168072)
Show SMILES O[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C24H20ClF3N4O3S/c25-16-3-2-14(17(9-16)24(26,27)28)12-31-18-4-1-13(7-15(18)10-30-31)8-21-22(34)32(23(35)36-21)19-5-6-29-11-20(19)33/h1-4,7-10,19-20,29,33H,5-6,11-12H2/b21-8-/t19-,20-/m1/s1
Affinity DataIC50: 25nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276810(CHEMBL4161992)
Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(CC(=O)NS(=O)(=O)N4CCCC4)C3=O)ccc12
Show InChI InChI=1S/C25H21ClF3N5O5S2/c26-18-5-4-16(19(11-18)25(27,28)29)13-34-20-6-3-15(9-17(20)12-30-34)10-21-23(36)33(24(37)40-21)14-22(35)31-41(38,39)32-7-1-2-8-32/h3-6,9-12H,1-2,7-8,13-14H2,(H,31,35)/b21-10-
Affinity DataIC50: 25nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276804(CHEMBL4171282)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3n(Cc4ccc(cc4C(F)(F)F)C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C22H13F6N3O4S/c23-21(24,25)14-3-2-12(15(7-14)22(26,27)28)9-31-16-4-1-11(5-13(16)8-29-31)6-17-19(34)30(10-18(32)33)20(35)36-17/h1-8H,9-10H2,(H,32,33)/b17-6-
Affinity DataIC50: 26nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276821(CHEMBL4167938)
Show SMILES Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(\C=C3/SC(=O)N(CC(O)=O)C3=O)cc12
Show InChI InChI=1S/C22H15ClF3N3O4S/c1-11-15-6-12(7-18-20(32)28(10-19(30)31)21(33)34-18)2-5-17(15)29(27-11)9-13-3-4-14(23)8-16(13)22(24,25)26/h2-8H,9-10H2,1H3,(H,30,31)/b18-7-
Affinity DataIC50: 28nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276815(CHEMBL4171419)
Show SMILES F[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C24H19ClF4N4O2S/c25-16-3-2-14(17(9-16)24(27,28)29)12-32-19-4-1-13(7-15(19)10-31-32)8-21-22(34)33(23(35)36-21)20-5-6-30-11-18(20)26/h1-4,7-10,18,20,30H,5-6,11-12H2/b21-8-/t18-,20-/m1/s1
Affinity DataIC50: 34nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276819(CHEMBL4174736)
Show SMILES FC(F)(F)c1cc(Cl)ccc1Cn1ncc2cc(\C=C3/SC(=O)N(CCN4CCOCC4)C3=O)ccc12
Show InChI InChI=1S/C25H22ClF3N4O3S/c26-19-3-2-17(20(13-19)25(27,28)29)15-33-21-4-1-16(11-18(21)14-30-33)12-22-23(34)32(24(35)37-22)6-5-31-7-9-36-10-8-31/h1-4,11-14H,5-10,15H2/b22-12-
Affinity DataIC50: 43nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276838(CHEMBL4160799)
Show SMILES CN1CC[C@@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21+/m1/s1
Affinity DataIC50: 45nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276813(CHEMBL4170236)
Show SMILES COc1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CCN5CCCC5)C4=O)ccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O3S/c1-36-20-6-5-18(21(14-20)26(27,28)29)16-33-22-7-4-17(12-19(22)15-30-33)13-23-24(34)32(25(35)37-23)11-10-31-8-2-3-9-31/h4-7,12-15H,2-3,8-11,16H2,1H3/b23-13-
Affinity DataIC50: 46nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276837(CHEMBL4159675)
Show SMILES Cc1nn(Cc2ccc(Cl)cc2C(F)(F)F)c2ccc(\C=C3/SC(=O)N(CC(=O)NS(=O)(=O)N4CCCC4)C3=O)cc12
Show InChI InChI=1S/C26H23ClF3N5O5S2/c1-15-19-10-16(4-7-21(19)35(31-15)13-17-5-6-18(27)12-20(17)26(28,29)30)11-22-24(37)34(25(38)41-22)14-23(36)32-42(39,40)33-8-2-3-9-33/h4-7,10-12H,2-3,8-9,13-14H2,1H3,(H,32,36)/b22-11-
Affinity DataIC50: 54nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50030474(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
Affinity DataIC50: 103nMAssay Description:Inhibition of fluormone PPARgamma Green binding to recombinant N-terminal GST-tagged human PPARgamma LBD by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR1(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276820(CHEMBL4160018)
Show SMILES FC(F)(F)c1ccc(Cn2ncc3cc(\C=C4/SC(=O)N(CCN5CCCC5)C4=O)ccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H22F6N4O2S/c27-25(28,29)19-5-4-17(20(13-19)26(30,31)32)15-36-21-6-3-16(11-18(21)14-33-36)12-22-23(37)35(24(38)39-22)10-9-34-7-1-2-8-34/h3-6,11-14H,1-2,7-10,15H2/b22-12-
Affinity DataIC50: 580nMAssay Description:Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR2(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276802(4-OHT | Afimoxifene | TamoGel)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
Affinity DataIC50: 886nMAssay Description:Antagonist activity at recombinant GST-tagged human ERRbeta LBD assessed as inhibition of fluorescein-labeled coactivator peptide recruitment preincu...More data for this Ligand-Target Pair
TargetSteroid hormone receptor ERR2(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at recombinant GST-tagged human ERRbeta LBD assessed as inhibition of fluorescein-labeled coactivator peptide recruitment preincu...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at recombinant GST-tagged human PPARdelta LBD assessed as inhibition of GW0742-induced fluorescein-labeled coactivator peptide re...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of fluormone ES2 green binding to recombinant full length human ERalpha expressed in insect cells by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at recombinant GST-tagged human RXRbeta LBD assessed as inhibition of all-trans-retinoic acid-induced fluorescein-labeled coactiv...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of fluormone ES2 binding to recombinant full length human ERbeta expressed in insect cells by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Agonist activity at recombinant GST-tagged human LXRbeta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme...More data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at recombinant GST-tagged human LXRalpha LBD assessed as inhibition of TO901317-induced fluorescein-labeled coactivator peptide r...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of fluormone PPARgamma Green binding to recombinant N-terminal GST-tagged human PPARgamma LBD by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetEstrogen-related receptor gamma(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at ERRgamma (unknown origin) assessed as inhibition of co-activator peptide recruitment by TR-FRET assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at recombinant GST-tagged human LXRbeta LBD assessed as inhibition of TO901317-induced fluorescein-labeled coactivator peptide re...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at recombinant GST-tagged human RXRalpha LBD assessed as inhibition of 9-cis-retinoic acid-induced fluorescein-labeled coactivato...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276815(CHEMBL4171419)
Show SMILES F[C@@H]1CNCC[C@H]1N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C24H19ClF4N4O2S/c25-16-3-2-14(17(9-16)24(27,28)29)12-32-19-4-1-13(7-15(19)10-31-32)8-21-22(34)33(23(35)36-21)20-5-6-30-11-18(20)26/h1-4,7-10,18,20,30H,5-6,11-12H2/b21-8-/t18-,20-/m1/s1
Affinity DataIC50: 2.10E+4nMAssay Description:Agonist activity at recombinant GST-tagged human PPARdelta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzy...More data for this Ligand-Target Pair
TargetRetinoic acid receptor beta(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at recombinant GST-tagged human RARbeta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Janssen Research and Development LLC

Curated by ChEMBL
LigandPNGBDBM50276797(CHEMBL4174856)
Show SMILES CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O
Show InChI InChI=1S/C25H21ClF4N4O2S/c1-32-7-6-21(19(27)13-32)34-23(35)22(37-24(34)36)9-14-2-5-20-16(8-14)11-31-33(20)12-15-3-4-17(26)10-18(15)25(28,29)30/h2-5,8-11,19,21H,6-7,12-13H2,1H3/b22-9-/t19-,21-/m1/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Antagonist activity at recombinant GST-tagged human PPARalpha LBD assessed as inhibition of GW7647-induced fluorescein-labeled coactivator peptide re...More data for this Ligand-Target Pair
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