Compile Data Set for Download or QSAR
Found 30 of affinity data for UniProtKB/TrEMBL: Q9Y466
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50130262(2,3,4,9-Tetrahydro-1H-beta-carboline | CHEMBL26923...)
Show SMILES C1Cc2c(CN1)[nH]c1ccccc21
Show InChI InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
Affinity DataEC50:  7.40E+4nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584389(CHEMBL5080383)
Show SMILES CCCCOc1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)
Affinity DataEC50:  5.00E+3nMAssay Description:Agonist activity at TLX (unknown origin) assessed as induction of receptor oligomerization using sGFP-labeled TLX LBD as acceptor and biotin TLX LBD ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50580566(CHEMBL3304960)
Show SMILES NC1CCc2[nH]c3ccccc3c2C1
Affinity DataEC50:  6.70E+4nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM14777((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
Affinity DataEC50:  5.00E+3nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM25761(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Affinity DataEC50:  3.20E+4nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
Affinity DataEC50:  4.70E+4nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM60973((2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-...)
Show SMILES CC(C)NC[C@@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
Affinity DataEC50:  4.00E+4nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50246936((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
Show SMILES CC(C)NC[C@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
Affinity DataEC50:  7.20E+4nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50580567(CHEMBL5070124)
Show SMILES CC(C)N(C)CC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-13(2)18(3)11-15(19)12-20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,19H,11-12H2,1-3H3
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50580568(CHEMBL5088115)
Show SMILES CC(C)OCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H20O3/c1-12(2)18-10-14(17)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17H,10-11H2,1-2H3
Affinity DataEC50:  8.30E+4nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50580569(CHEMBL5083628)
Show SMILES COC(CNC(C)C)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-13(2)18-11-15(19-3)12-20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,15,18H,11-12H2,1-3H3
Affinity DataEC50:  5.20E+4nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50061966(CHEMBL139737 | Isopropyl-[3-(naphthalen-1-yloxy)-p...)
Show SMILES CC(C)NCCCOc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO/c1-13(2)17-11-6-12-18-16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,13,17H,6,11-12H2,1-2H3
Affinity DataEC50:  5.00E+4nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM25761(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Affinity DataEC50:  3.20E+4nMAssay Description:Agonist activity at full length TLX activating element expressed in human HEK293T cells coexpressing human full-length TLX/Gal4-VP 16 assessed as dec...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50130262(2,3,4,9-Tetrahydro-1H-beta-carboline | CHEMBL26923...)
Show SMILES C1Cc2c(CN1)[nH]c1ccccc21
Show InChI InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at TAE expressed in human HEK293T cells coexpressing human full-length TLX/Gal4-VP 16 assessed as renilla luciferase reporter activi...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50404775(CHEMBL31888)
Show SMILES NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C13H15NO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9,14H2
Affinity DataEC50:  4.30E+4nMAssay Description:Agonist activity at TAE expressed in human HEK293T cells coexpressing human full-length TLX/Gal4-VP 16 assessed as renilla luciferase reporter activi...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50580566(CHEMBL3304960)
Show SMILES NC1CCc2[nH]c3ccccc3c2C1
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at TAE expressed in human HEK293T cells coexpressing human full-length TLX/Gal4-VP 16 assessed as renilla luciferase reporter activi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM25761(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Affinity DataEC50:  3.70E+4nMAssay Description:Agonist activity at TAE expressed in human HEK293T cells coexpressing human full-length TLX/Gal4-VP 16 assessed as renilla luciferase reporter activi...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM25761(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Affinity DataKd:  500nMAssay Description:Binding affinity to TLX LBD expressed in His6-tagged Escherichia coli Rosetta assessed as binding constant measured after 300 sec at 200 mM by isothe...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584383(CHEMBL5080162)
Show SMILES Cc1cn(cn1)-c1cc(N)cc(c1)C(F)(F)F
Show InChI InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
Affinity DataEC50:  2.00E+4nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584384(CHEMBL5090226)
Show SMILES Cc1cc(nn1C)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N4O/c1-18-17-21(24-25(18)2)23(28)27-15-13-26(14-16-27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3
Affinity DataEC50:  1.00E+3nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584385(CHEMBL5077720)
Show SMILES CC(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1
Show InChI InChI=1S/C13H12F3N3O/c1-8-6-19(7-17-8)12-4-10(13(14,15)16)3-11(5-12)18-9(2)20/h3-7H,1-2H3,(H,18,20)
Affinity DataEC50:  1.10E+4nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584386(CHEMBL5071695)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)N2CCN(CC2)c2ccc(O)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2/c1-15-13-30(14-26-15)19-11-16(22(23,24)25)10-17(12-19)27-21(32)29-8-6-28(7-9-29)18-2-4-20(31)5-3-18/h2-5,10-14,31H,6-9H2,1H3,(H,27,32)
Affinity DataEC50:  5.00E+3nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584387(CHEMBL5088898)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1
Show InChI InChI=1S/C19H16ClF3N4O2/c1-10-8-27(9-25-10)13-4-11(19(21,22)23)3-12(5-13)26-18(28)14-6-15(20)16(24)7-17(14)29-2/h3-9H,24H2,1-2H3,(H,26,28)
Affinity DataEC50:  3.00E+3nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584388(CHEMBL5089826)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)CCCc2ccc(cc2)-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C27H24F3N3O/c1-19-17-33(18-31-19)25-15-23(27(28,29)30)14-24(16-25)32-26(34)9-5-6-20-10-12-22(13-11-20)21-7-3-2-4-8-21/h2-4,7-8,10-18H,5-6,9H2,1H3,(H,32,34)
Affinity DataEC50:  1.20E+3nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584389(CHEMBL5080383)
Show SMILES CCCCOc1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)
Affinity DataEC50:  251nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584383(CHEMBL5080162)
Show SMILES Cc1cn(cn1)-c1cc(N)cc(c1)C(F)(F)F
Show InChI InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
Affinity DataEC50:  2.00E+4nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584389(CHEMBL5080383)
Show SMILES CCCCOc1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)
Affinity DataEC50:  250nMAssay Description:Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584389(CHEMBL5080383)
Show SMILES CCCCOc1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)
Affinity DataEC50:  700nMAssay Description:Agonist activity at human full length Gal4-fused TLX transfected in human HEK293T cells coexpressing pFR-TAE-Luc assessed as repressor activity of re...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50584389(CHEMBL5080383)
Show SMILES CCCCOc1cc(C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2ccccc2n1
Show InChI InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)
Affinity DataKd:  1.60E+3nMAssay Description:Binding affinity to recombinant TLX LBD (unknown origin) by differential scanning fluorometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor subfamily 2 group E member 1(Homo sapiens)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50404775(CHEMBL31888)
Show SMILES NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C13H15NO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9,14H2
Affinity DataEC50:  1.94E+4nMAssay Description:Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured afte...More data for this Ligand-Target Pair