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Compile Data Set for Download or QSAR

Found 53 hits of ec50 data for polymerid = 50000654,50000655,50004578,50006269   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ecdysone receptor


(Bombyx mori)
BDBM50128305
PNG
(3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenz...)
Show SMILES COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C
Show InChI InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
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n/an/an/an/a 100n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128309
PNG
(3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(2-ethyl...)
Show SMILES CCc1c(OC)cccc1C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C23H30N2O3/c1-8-18-19(10-9-11-20(18)28-7)21(26)24-25(23(4,5)6)22(27)17-13-15(2)12-16(3)14-17/h9-14H,8H2,1-7H3,(H,24,26)
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n/an/an/an/a 250n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128309
PNG
(3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(2-ethyl...)
Show SMILES CCc1c(OC)cccc1C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C23H30N2O3/c1-8-18-19(10-9-11-20(18)28-7)21(26)24-25(23(4,5)6)22(27)17-13-15(2)12-16(3)14-17/h9-14H,8H2,1-7H3,(H,24,26)
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RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128468
PNG
((4-Chloro-phenyl)-[(2R,4S)-6-fluoro-4-(4-fluoro-ph...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N2O/c1-14-12-21(27-19-9-6-17(25)7-10-19)20-13-18(26)8-11-22(20)28(14)23(29)15-2-4-16(24)5-3-15/h2-11,13-14,21,27H,12H2,1H3/t14-,21+/m1/s1
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RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128494
PNG
((3-Methoxy-phenyl)-((2R,4S)-2-methyl-4-phenylamino...)
Show SMILES COc1cccc(c1)C(=O)N1[C@H](C)C[C@H](Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H24N2O2/c1-17-15-22(25-19-10-4-3-5-11-19)21-13-6-7-14-23(21)26(17)24(27)18-9-8-12-20(16-18)28-2/h3-14,16-17,22,25H,15H2,1-2H3/t17-,22+/m1/s1
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RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128297
PNG
(5-Ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic...)
Show SMILES CCc1c2OCCOc2ccc1C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C26H31NO4/c1-4-20-21(8-9-22-23(20)31-13-12-30-22)25(29)27-26(10-6-5-7-11-26)24(28)19-15-17(2)14-18(3)16-19/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,27,29)
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n/an/an/an/a 740n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128475
PNG
((3-Fluoro-phenyl)-((2R,4S)-2-methyl-4-phenylamino-...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C23H21FN2O/c1-16-14-21(25-19-10-3-2-4-11-19)20-12-5-6-13-22(20)26(16)23(27)17-8-7-9-18(24)15-17/h2-13,15-16,21,25H,14H2,1H3/t16-,21+/m1/s1
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n/an/an/an/a 750n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128487
PNG
(CHEMBL57114 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H22F2N2O/c1-15-3-5-17(6-4-15)24(29)28-16(2)13-22(21-14-19(26)9-12-23(21)28)27-20-10-7-18(25)8-11-20/h3-12,14,16,22,27H,13H2,1-2H3/t16-,22+/m1/s1
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n/an/an/an/a 870n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128482
PNG
(CHEMBL58694 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H19F5N2O/c1-14-12-21(30-19-9-6-17(25)7-10-19)20-13-18(26)8-11-22(20)31(14)23(32)15-2-4-16(5-3-15)24(27,28)29/h2-11,13-14,21,30H,12H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 920n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128483
PNG
((4-Chloro-phenyl)-((2R,4S)-2-methyl-4-phenylamino-...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O/c1-16-15-21(25-19-7-3-2-4-8-19)20-9-5-6-10-22(20)26(16)23(27)17-11-13-18(24)14-12-17/h2-14,16,21,25H,15H2,1H3/t16-,21+/m1/s1
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n/an/an/an/a 980n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128312
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cyclohexyl]-2-m...)
Show SMILES COc1cccc(C(=O)NC2(CCCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C23H27NO4/c1-16-17(11-9-13-19(16)27-2)22(26)24-23(14-7-4-8-15-23)21(25)18-10-5-6-12-20(18)28-3/h5-6,9-13H,4,7-8,14-15H2,1-3H3,(H,24,26)
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RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128484
PNG
(CHEMBL58731 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C23H19F3N2O/c1-14-11-21(27-19-8-5-16(24)6-9-19)20-13-18(26)7-10-22(20)28(14)23(29)15-3-2-4-17(25)12-15/h2-10,12-14,21,27H,11H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 990n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128496
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O/c1-17-12-14-19(15-13-17)24(27)26-18(2)16-22(21-10-6-7-11-23(21)26)25-20-8-4-3-5-9-20/h3-15,18,22,25H,16H2,1-2H3/t18-,22+/m1/s1
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n/an/an/an/a 990n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128478
PNG
(CHEMBL301460 | [(2R,4S)-6-Fluoro-4-(4-fluoro-pheny...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19F5N2O/c1-14-11-21(30-19-8-5-17(25)6-9-19)20-13-18(26)7-10-22(20)31(14)23(32)15-3-2-4-16(12-15)24(27,28)29/h2-10,12-14,21,30H,11H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128477
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O/c1-17-16-21(24-19-12-6-3-7-13-19)20-14-8-9-15-22(20)25(17)23(26)18-10-4-2-5-11-18/h2-15,17,21,24H,16H2,1H3/t17-,21+/m1/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128469
PNG
(CHEMBL56663 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES COc1ccc(cc1)C(=O)N1[C@H](C)C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc12
Show InChI InChI=1S/C24H22F2N2O2/c1-15-13-22(27-19-8-5-17(25)6-9-19)21-14-18(26)7-12-23(21)28(15)24(29)16-3-10-20(30-2)11-4-16/h3-12,14-15,22,27H,13H2,1-2H3/t15-,22+/m1/s1
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n/an/an/an/a 1.14E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128489
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O/c1-16-15-21(28-19-7-3-2-4-8-19)20-9-5-6-10-22(20)29(16)23(30)17-11-13-18(14-12-17)24(25,26)27/h2-14,16,21,28H,15H2,1H3/t16-,21+/m1/s1
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n/an/an/an/a 1.18E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128486
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O/c1-16-14-21(28-19-10-3-2-4-11-19)20-12-5-6-13-22(20)29(16)23(30)17-8-7-9-18(15-17)24(25,26)27/h2-13,15-16,21,28H,14H2,1H3/t16-,21+/m1/s1
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n/an/an/an/a 1.21E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128472
PNG
(CHEMBL294491 | [(2R,4S)-6-Fluoro-4-(4-fluoro-pheny...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1cccc(C)c1
Show InChI InChI=1S/C24H22F2N2O/c1-15-4-3-5-17(12-15)24(29)28-16(2)13-22(21-14-19(26)8-11-23(21)28)27-20-9-6-18(25)7-10-20/h3-12,14,16,22,27H,13H2,1-2H3/t16-,22+/m1/s1
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n/an/an/an/a 1.36E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128300
PNG
(CHEMBL55869 | N-[1-(3,5-Dimethyl-benzoyl)-cyclohex...)
Show SMILES COc1cccc(C(=O)NC2(CCCCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C24H29NO3/c1-16-13-17(2)15-19(14-16)22(26)24(11-6-5-7-12-24)25-23(27)20-9-8-10-21(28-4)18(20)3/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,25,27)
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n/an/an/an/a 1.41E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128474
PNG
((4-Methoxy-phenyl)-((2R,4S)-2-methyl-4-phenylamino...)
Show SMILES COc1ccc(cc1)C(=O)N1[C@H](C)C[C@H](Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H24N2O2/c1-17-16-22(25-19-8-4-3-5-9-19)21-10-6-7-11-23(21)26(17)24(27)18-12-14-20(28-2)15-13-18/h3-15,17,22,25H,16H2,1-2H3/t17-,22+/m1/s1
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n/an/an/an/a 1.43E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128485
PNG
(CHEMBL291343 | [(2R,4S)-6-Fluoro-4-(4-fluoro-pheny...)
Show SMILES COc1cccc(c1)C(=O)N1[C@H](C)C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc12
Show InChI InChI=1S/C24H22F2N2O2/c1-15-12-22(27-19-9-6-17(25)7-10-19)21-14-18(26)8-11-23(21)28(15)24(29)16-4-3-5-20(13-16)30-2/h3-11,13-15,22,27H,12H2,1-2H3/t15-,22+/m1/s1
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n/an/an/an/a 1.48E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128314
PNG
(CHEMBL55108 | N-[1-(3,5-Dimethyl-benzoyl)-cyclohex...)
Show SMILES CCc1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C24H29NO2/c1-4-19-8-10-20(11-9-19)23(27)25-24(12-6-5-7-13-24)22(26)21-15-17(2)14-18(3)16-21/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,25,27)
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n/an/an/an/a 1.51E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128304
PNG
(CHEMBL52252 | N-[4-(3,5-Dimethyl-benzoyl)-tetrahyd...)
Show SMILES COc1cccc(C(=O)NC2(CCSCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO3S/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-28-11-9-23)24-22(26)19-6-5-7-20(27-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
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n/an/an/an/a 1.60E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128315
PNG
(CHEMBL300989 | N-[1-(3,5-Dimethyl-benzoyl)-cyclohe...)
Show SMILES COc1cccc(C(=O)NC2(CCCCCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C25H31NO3/c1-17-14-18(2)16-20(15-17)23(27)25(12-7-5-6-8-13-25)26-24(28)21-10-9-11-22(29-4)19(21)3/h9-11,14-16H,5-8,12-13H2,1-4H3,(H,26,28)
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n/an/an/an/a 1.61E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128479
PNG
(CHEMBL57186 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C23H20F2N2O/c1-15-13-21(26-19-10-7-17(24)8-11-19)20-14-18(25)9-12-22(20)27(15)23(28)16-5-3-2-4-6-16/h2-12,14-15,21,26H,13H2,1H3/t15-,21+/m1/s1
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n/an/an/an/a 1.73E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128302
PNG
(CHEMBL59044 | N-[1-(3,5-Dimethyl-benzoyl)-cyclohex...)
Show SMILES CCc1c(OC)cccc1C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C25H31NO3/c1-5-20-21(10-9-11-22(20)29-4)24(28)26-25(12-7-6-8-13-25)23(27)19-15-17(2)14-18(3)16-19/h9-11,14-16H,5-8,12-13H2,1-4H3,(H,26,28)
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n/an/an/an/a 1.81E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128497
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O/c1-16-7-10-21(11-8-16)30-23-14-18(3)31(24-12-9-17(2)13-22(23)24)25(32)19-5-4-6-20(15-19)26(27,28)29/h4-13,15,18,23,30H,14H2,1-3H3/t18-,23+/m1/s1
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n/an/an/an/a 1.84E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128313
PNG
(CHEMBL57543 | N-[1-(3,5-Dimethyl-benzoyl)-cyclopen...)
Show SMILES COc1cccc(C(=O)NC2(CCCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO3/c1-15-12-16(2)14-18(13-15)21(25)23(10-5-6-11-23)24-22(26)19-8-7-9-20(27-4)17(19)3/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,24,26)
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n/an/an/an/a 1.87E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128306
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cycloheptyl]-2-...)
Show SMILES COc1cccc(C(=O)NC2(CCCCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C24H29NO4/c1-17-18(12-10-14-20(17)28-2)23(27)25-24(15-8-4-5-9-16-24)22(26)19-11-6-7-13-21(19)29-3/h6-7,10-14H,4-5,8-9,15-16H2,1-3H3,(H,25,27)
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n/an/an/an/a 1.94E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128492
PNG
((4-Chloro-phenyl)-((2R,4S)-2,6-dimethyl-4-p-tolyla...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O/c1-16-4-11-21(12-5-16)27-23-15-18(3)28(24-13-6-17(2)14-22(23)24)25(29)19-7-9-20(26)10-8-19/h4-14,18,23,27H,15H2,1-3H3/t18-,23+/m1/s1
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n/an/an/an/a 2.15E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128466
PNG
(CHEMBL291513 | [(2R,4S)-6-Fluoro-4-(4-fluoro-pheny...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1F
Show InChI InChI=1S/C23H19F3N2O/c1-14-12-21(27-17-9-6-15(24)7-10-17)19-13-16(25)8-11-22(19)28(14)23(29)18-4-2-3-5-20(18)26/h2-11,13-14,21,27H,12H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128488
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C25H25FN2O/c1-16-7-10-21(11-8-16)27-23-14-18(3)28(24-12-9-17(2)13-22(23)24)25(29)19-5-4-6-20(26)15-19/h4-13,15,18,23,27H,14H2,1-3H3/t18-,23+/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128470
PNG
(CHEMBL416140 | [(2R,4S)-6-Fluoro-4-(4-fluoro-pheny...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1C
Show InChI InChI=1S/C24H22F2N2O/c1-15-5-3-4-6-20(15)24(29)28-16(2)13-22(21-14-18(26)9-12-23(21)28)27-19-10-7-17(25)8-11-19/h3-12,14,16,22,27H,13H2,1-2H3/t16-,22+/m1/s1
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n/an/an/an/a 3.19E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128299
PNG
(4-Methyl-benzo[1,3]dioxole-5-carboxylic acid [1-(3...)
Show SMILES Cc1cc(C)cc(c1)C(=O)C1(CCCCC1)NC(=O)c1ccc2OCOc2c1C
Show InChI InChI=1S/C24H27NO4/c1-15-11-16(2)13-18(12-15)22(26)24(9-5-4-6-10-24)25-23(27)19-7-8-20-21(17(19)3)29-14-28-20/h7-8,11-13H,4-6,9-10,14H2,1-3H3,(H,25,27)
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n/an/an/an/a 3.68E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128480
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O/c1-16-4-11-21(12-5-16)30-23-15-18(3)31(24-13-6-17(2)14-22(23)24)25(32)19-7-9-20(10-8-19)26(27,28)29/h4-14,18,23,30H,15H2,1-3H3/t18-,23+/m1/s1
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n/an/an/an/a 4.41E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128298
PNG
(CHEMBL299671 | N-[1-(3,5-Dimethyl-benzoyl)-1-ethyl...)
Show SMILES CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H29NO3/c1-7-23(8-2,21(25)18-13-15(3)12-16(4)14-18)24-22(26)19-10-9-11-20(27-6)17(19)5/h9-14H,7-8H2,1-6H3,(H,24,26)
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n/an/an/an/a 4.53E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128490
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O/c1-17-5-10-21(11-6-17)26(29)28-20(4)16-24(23-15-19(3)9-14-25(23)28)27-22-12-7-18(2)8-13-22/h5-15,20,24,27H,16H2,1-4H3/t20-,24+/m1/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128303
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cyclopentyl]-2-...)
Show SMILES COc1cccc(C(=O)NC2(CCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C22H25NO4/c1-15-16(10-8-12-18(15)26-2)21(25)23-22(13-6-7-14-22)20(24)17-9-4-5-11-19(17)27-3/h4-5,8-12H,6-7,13-14H2,1-3H3,(H,23,25)
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n/an/an/an/a 5.16E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128481
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES COc1ccc(cc1)C(=O)N1[C@H](C)C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C26H28N2O2/c1-17-5-10-21(11-6-17)27-24-16-19(3)28(25-14-7-18(2)15-23(24)25)26(29)20-8-12-22(30-4)13-9-20/h5-15,19,24,27H,16H2,1-4H3/t19-,24+/m1/s1
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n/an/an/an/a 5.32E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128495
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C25H26N2O/c1-17-9-12-21(13-10-17)26-23-16-19(3)27(24-14-11-18(2)15-22(23)24)25(28)20-7-5-4-6-8-20/h4-15,19,23,26H,16H2,1-3H3/t19-,23+/m1/s1
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n/an/an/an/a 5.40E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128301
PNG
(CHEMBL54575 | N-[1-(3,5-Dimethyl-benzoyl)-cyclobut...)
Show SMILES COc1cccc(C(=O)NC2(CCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C22H25NO3/c1-14-11-15(2)13-17(12-14)20(24)22(9-6-10-22)23-21(25)18-7-5-8-19(26-4)16(18)3/h5,7-8,11-13H,6,9-10H2,1-4H3,(H,23,25)
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n/an/an/an/a 8.52E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128498
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccccc1C
Show InChI InChI=1S/C26H28N2O/c1-17-9-12-21(13-10-17)27-24-16-20(4)28(25-14-11-18(2)15-23(24)25)26(29)22-8-6-5-7-19(22)3/h5-15,20,24,27H,16H2,1-4H3/t20-,24+/m1/s1
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n/an/an/an/a 8.71E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128307
PNG
(CHEMBL56411 | N-[4-(3,5-Dimethyl-benzoyl)-tetrahyd...)
Show SMILES COc1cccc(C(=O)NC2(CCOCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO4/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-28-11-9-23)24-22(26)19-6-5-7-20(27-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
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n/an/an/an/a 1.00E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128311
PNG
(CHEMBL54983 | N-[2-(3,5-Dimethyl-phenyl)-1,1-dimet...)
Show SMILES COc1cccc(C(=O)NC(C)(C)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C21H25NO3/c1-13-10-14(2)12-16(11-13)19(23)21(4,5)22-20(24)17-8-7-9-18(25-6)15(17)3/h7-12H,1-6H3,(H,22,24)
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n/an/an/an/a 1.00E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128471
PNG
(CHEMBL59557 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H19F5N2O/c1-14-12-21(30-17-9-6-15(25)7-10-17)19-13-16(26)8-11-22(19)31(14)23(32)18-4-2-3-5-20(18)24(27,28)29/h2-11,13-14,21,30H,12H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128308
PNG
(CHEMBL293929 | N-[4-(3,5-Dimethyl-benzoyl)-1,1-dio...)
Show SMILES COc1cccc(C(=O)NC2(CCS(=O)(=O)CC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO5S/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-30(27,28)11-9-23)24-22(26)19-6-5-7-20(29-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
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n/an/an/an/a 1.50E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50128310
PNG
(CHEMBL55953 | N-[1-(3,5-Dimethyl-benzoyl)-cyclopro...)
Show SMILES COc1cccc(C(=O)NC2(CC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C21H23NO3/c1-13-10-14(2)12-16(11-13)19(23)21(8-9-21)22-20(24)17-6-5-7-18(25-4)15(17)3/h5-7,10-12H,8-9H2,1-4H3,(H,22,24)
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n/an/an/an/a 2.04E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128491
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O/c1-16-8-11-19(12-9-16)30-23-15-18(3)31(24-13-10-17(2)14-21(23)24)25(32)20-6-4-5-7-22(20)26(27,28)29/h4-14,18,23,30H,15H2,1-3H3/t18-,23+/m1/s1
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n/an/an/an/a 3.33E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128493
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccccc1F
Show InChI InChI=1S/C25H25FN2O/c1-16-8-11-19(12-9-16)27-23-15-18(3)28(24-13-10-17(2)14-21(23)24)25(29)20-6-4-5-7-22(20)26/h4-14,18,23,27H,15H2,1-3H3/t18-,23+/m1/s1
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n/an/an/an/a 3.33E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
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