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Compile Data Set for Download or QSAR

Found 34 hits of ec50 data for polymerid = 50000654   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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n/an/an/an/a 440n/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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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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n/an/an/an/a 640n/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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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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n/an/an/an/a 700n/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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128476
PNG
(CHEMBL61369 | [(2R,4S)-6-Fluoro-4-(4-fluoro-phenyl...)
Show SMILES COc1ccccc1C(=O)N1[C@H](C)C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc12
Show InChI InChI=1S/C24H22F2N2O2/c1-15-13-21(27-18-10-7-16(25)8-11-18)20-14-17(26)9-12-22(20)28(15)24(29)19-5-3-4-6-23(19)30-2/h3-12,14-15,21,27H,13H2,1-2H3/t15-,21+/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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128473
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(C)c1
Show InChI InChI=1S/C26H28N2O/c1-17-8-11-22(12-9-17)27-24-16-20(4)28(25-13-10-19(3)15-23(24)25)26(29)21-7-5-6-18(2)14-21/h5-15,20,24,27H,16H2,1-4H3/t20-,24+/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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128467
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES COc1cccc(c1)C(=O)N1[C@H](C)C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C26H28N2O2/c1-17-8-11-21(12-9-17)27-24-15-19(3)28(25-13-10-18(2)14-23(24)25)26(29)20-6-5-7-22(16-20)30-4/h5-14,16,19,24,27H,15H2,1-4H3/t19-,24+/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)


BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair