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Compile Data Set for Download or QSAR

Found 307 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor'   
Target/Host
(Institution)		LigandTarget/Host
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/Protein ultraspiracle homolog


(Choristoneura fumiferana)		BDBM50178988
PNG
(CHEBI:38452 | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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 0.501n/an/an/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Choristoneura fumiferana EcR

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor/Ultraspiracle


(Chilo suppressalis)		BDBM50178988
PNG
(CHEBI:38452 | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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 1.30n/an/an/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Chilo suppressalis (rice stem borer) EcR

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor/USP


(Plodia interpunctella)		BDBM50178988
PNG
(CHEBI:38452 | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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 3.20n/an/an/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Plodia interpunctella (Indian meal moth ) EcR

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor/Gene regulation protein


(Heliothis virescens)		BDBM50178988
PNG
(CHEBI:38452 | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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 3.20n/an/an/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Heliothis virescens (tobacco budworm) EcR

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor/Ultraspiracle


(Chironomus tentans)		BDBM50178988
PNG
(CHEBI:38452 | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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 10n/an/an/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Chironomus tentans EcR

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor/Ultraspiracle protein


(Lucilia cuprina)		BDBM50178988
PNG
(CHEBI:38452 | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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 158n/an/an/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina EcR

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor/Ultraspiracle


(Anthonomus grandis-Leptinotarsa decemlineata)		BDBM50178988
PNG
(CHEBI:38452 | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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 1.26E+4n/an/an/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Anthonomus grandis ecdysone receptor (EcR)

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor/Nuclear receptor RXR-l


(Locusta migratoria)		BDBM50178988
PNG
(CHEBI:38452 | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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 1.00E+5n/an/an/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Locusta migratoria ecdysone receptor (EcR)

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor/Ultraspiracle protein


(Myzus persicae)		BDBM50178988
PNG
(CHEBI:38452 | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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<1.26E+5n/an/an/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Myzus persicae EcR (green peach aphid)

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor/Ultraspiracle protein


(Bemisia tabaci)		BDBM50178988
PNG
(CHEBI:38452 | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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<5.01E+5n/an/an/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Bemisia tabaci (sweet potato whitefly) ecdysone receptor (EcR)

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)		BDBM50326776
PNG
(2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r,t:15|
Show InChI InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
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n/an/a 1.29n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ecdysone receptor


(Drosophila melanogaster)		BDBM50326777
PNG
((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Show SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r,t:16|
Show InChI InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
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n/an/a 45.7n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)		BDBM50414658
PNG
(CHEMBL559048)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H46O5/c1-15(2)6-9-24(31)27(5,32)23-8-7-17-16-12-20(28)19-13-21(29)22(30)14-26(19,4)18(16)10-11-25(17,23)3/h15-19,21-24,29-32H,6-14H2,1-5H3/t16-,17-,18-,19-,21+,22-,23-,24+,25-,26+,27+/m0/s1
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n/an/a 58.9n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)		BDBM50414645
PNG
(CYASTERONE)
Show SMILES C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r,t:20|
Show InChI InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
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n/an/a 61.7n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)		BDBM50414646
PNG
(INOKOSTERONE)
Show SMILES C[C@H](CO)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@@]4(C)[C@H]3CC[C@@]12C |r,t:16|
Show InChI InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16-,18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
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n/an/a 91.2n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)		BDBM50226672
PNG
(CHEMBL255034 | makisterone A)
Show SMILES C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O |t:13|
Show InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)		BDBM50414659
PNG
(CHEMBL564892)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H46O5/c1-15(2)6-9-24(31)27(5,32)23-8-7-17-16-12-20(28)19-13-21(29)22(30)14-26(19,4)18(16)10-11-25(17,23)3/h15-19,21-24,29-32H,6-14H2,1-5H3/t16-,17-,18-,19+,21-,22+,23-,24+,25-,26+,27+/m0/s1
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n/an/a 324n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor/Ultraspiracle protein


(Spodoptera frugiperda)		BDBM50226672
PNG
(CHEMBL255034 | makisterone A)
Show SMILES C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O |t:13|
Show InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
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n/an/a 389n/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Spodoptera frugiperda (fall armyworm) EcR

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor/Ultraspiracle


(Leptinotarsa decemlineata)		BDBM50326777
PNG
((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Show SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r,t:16|
Show InChI InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
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n/an/a 437n/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Leptinotarsa decemlineata EcR

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)		BDBM50414652
PNG
(CHEMBL559941)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H46O4/c1-16(2)6-9-24(30)27(5,31)23-8-7-19-18-15-22(29)21-14-17(28)10-12-25(21,3)20(18)11-13-26(19,23)4/h16-21,23-24,28,30-31H,6-15H2,1-5H3/t17-,18+,19+,20+,21-,23+,24-,25-,26+,27-/m1/s1
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n/an/a 794n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326776
PNG
(2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE | CHEM...)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r,t:15|
Show InChI InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ecdysone receptor/Ultraspiracle


(Nezara viridula)		BDBM50226672
PNG
(CHEMBL255034 | makisterone A)
Show SMILES C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O |t:13|
Show InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences

Curated by ChEMBL


Assay Description
Binding affinity to Nezara viridula EcR

Pest Manag Sci 67: 1457-67 (2011)


Article DOI: 10.1002/ps.2200
BindingDB Entry DOI: 10.7270/Q2B27Z6B
More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)		BDBM50488465
PNG
(CHEMBL2286413)
Show SMILES Cc1ccc(NC2CCN(CC2)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-14-2-8-17(9-3-14)21-18-10-12-22(13-11-18)19(23)15-4-6-16(20)7-5-15/h2-9,18,21H,10-13H2,1H3
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n/an/a 2.24E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Bombyx mori Bm5 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide challenge...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)		BDBM50414651
PNG
(ECDYSONE)
Show SMILES C[C@H]([C@@H](O)CCC(C)(C)O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C |r,t:15,@@:6|
Show InChI InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16-,17+,19-,20-,22-,23-,25-,26-,27-/m0/s1
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n/an/a 2.57E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326767
PNG
(4-butyl-1-(2-tert-butyl-5-chlorophenyl)-5-methylen...)
Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)ccc1C(C)(C)C |c:4|
Show InChI InChI=1S/C20H23ClN2O/c1-6-7-8-15-13(2)23(19(24)16(15)12-22)18-11-14(21)9-10-17(18)20(3,4)5/h9-11H,2,6-8H2,1,3-5H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326777
PNG
((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Show SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r,t:16|
Show InChI InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326770
PNG
(4-isobutyl-5-methylene-2-oxo-1-(2,4,5-trichlorophe...)
Show SMILES CC(C)CC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(Cl)cc1Cl |c:4|
Show InChI InChI=1S/C16H13Cl3N2O/c1-8(2)4-10-9(3)21(16(22)11(10)7-20)15-6-13(18)12(17)5-14(15)19/h5-6,8H,3-4H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326755
PNG
(1-(2,5-di-tert-butylphenyl)-4-methyl-5-methylene-2...)
Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1cc(ccc1C(C)(C)C)C(C)(C)C |c:1|
Show InChI InChI=1S/C21H26N2O/c1-13-14(2)23(19(24)16(13)12-22)18-11-15(20(3,4)5)9-10-17(18)21(6,7)8/h9-11H,2H2,1,3-8H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326760
PNG
(4-ethyl-5-methylene-2-oxo-1-(2,4,5-trichlorophenyl...)
Show SMILES CCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C14H9Cl3N2O/c1-3-8-7(2)19(14(20)9(8)6-18)13-5-11(16)10(15)4-12(13)17/h4-5H,2-3H2,1H3
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n/an/a 7.25E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326765
PNG
(4-butyl-1-(3-chloro-2-methylphenyl)-5-methylene-2-...)
Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1cccc(Cl)c1C |c:4|
Show InChI InChI=1S/C17H17ClN2O/c1-4-5-7-13-12(3)20(17(21)14(13)10-19)16-9-6-8-15(18)11(16)2/h6,8-9H,3-5,7H2,1-2H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326758
PNG
(1-(4-tert-butyl-2,5-dichlorophenyl)-4-methyl-5-met...)
Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(cc1Cl)C(C)(C)C |c:1|
Show InChI InChI=1S/C17H16Cl2N2O/c1-9-10(2)21(16(22)11(9)8-20)15-7-13(18)12(6-14(15)19)17(3,4)5/h6-7H,2H2,1,3-5H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)		BDBM50488464
PNG
(CHEMBL2286419)
Show SMILES Cc1ccc(NC2CCN(C(=O)c3ccc(Cl)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H21ClN2O/c1-16-6-12-19(13-7-16)25-21-14-15-26(22-5-3-2-4-20(21)22)23(27)17-8-10-18(24)11-9-17/h2-13,21,25H,14-15H2,1H3
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n/an/a 8.91E+3n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Bombyx mori Bm5 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide challenge...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)		BDBM50414655
PNG
(CHEMBL560796)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H46O4/c1-16(2)6-9-24(30)27(5,31)23-8-7-19-18-15-22(29)21-14-17(28)10-12-25(21,3)20(18)11-13-26(19,23)4/h16-21,23-24,28,30-31H,6-15H2,1-5H3/t17-,18-,19-,20-,21+,23-,24+,25+,26-,27+/m0/s1
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n/an/a 9.55E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326759
PNG
(1-(2-tert-butyl-5-chlorophenyl)-4-ethyl-5-methylen...)
Show SMILES CCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)ccc1C(C)(C)C |c:2|
Show InChI InChI=1S/C18H19ClN2O/c1-6-13-11(2)21(17(22)14(13)10-20)16-9-12(19)7-8-15(16)18(3,4)5/h7-9H,2,6H2,1,3-5H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326766
PNG
(4-butyl-1-(5-chloro-2-methylphenyl)-5-methylene-2-...)
Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)ccc1C |c:4|
Show InChI InChI=1S/C17H17ClN2O/c1-4-5-6-14-12(3)20(17(21)15(14)10-19)16-9-13(18)8-7-11(16)2/h7-9H,3-6H2,1-2H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326773
PNG
(1-cyclohexyl-5-methylene-2-oxo-4-phenyl-2,5-dihydr...)
Show SMILES C=C1N(C2CCCCC2)C(=O)C(C#N)=C1c1ccccc1 |c:14|
Show InChI InChI=1S/C18H18N2O/c1-13-17(14-8-4-2-5-9-14)16(12-19)18(21)20(13)15-10-6-3-7-11-15/h2,4-5,8-9,15H,1,3,6-7,10-11H2
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n/an/a 1.25E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Spodoptera littoralis)		BDBM50488463
PNG
(CHEMBL2285681)
Show SMILES CC1CC(N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H28Cl2N2O2/c1-20-4-15-27(16-5-20)36(32(38)24-9-13-26(34)14-10-24)30-19-22(3)35(29-17-6-21(2)18-28(29)30)31(37)23-7-11-25(33)12-8-23/h4-18,22,30H,19H2,1-3H3
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n/an/a 1.29E+4n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)		BDBM50488463
PNG
(CHEMBL2285681)
Show SMILES CC1CC(N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H28Cl2N2O2/c1-20-4-15-27(16-5-20)36(32(38)24-9-13-26(34)14-10-24)30-19-22(3)35(29-17-6-21(2)18-28(29)30)31(37)23-7-11-25(33)12-8-23/h4-18,22,30H,19H2,1-3H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Bombyx mori Bm5 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide challenge...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Drosophila melanogaster)		BDBM50414657
PNG
(CHEMBL562711)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H46O5/c1-15(2)6-9-24(31)27(5,32)23-8-7-17-16-12-20(28)19-13-21(29)22(30)14-26(19,4)18(16)10-11-25(17,23)3/h15-19,21-24,29-32H,6-14H2,1-5H3/t16-,17-,18-,19+,21+,22-,23-,24+,25-,26+,27+/m0/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed

Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)		BDBM50488437
PNG
(CHEMBL2286416)
Show SMILES CC1CC(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
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n/an/a 1.48E+4n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Bombyx mori Bm5 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide challenge...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326761
PNG
(1-(2-tert-butylphenyl)-4-isopropyl-5-methylene-2-o...)
Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1ccccc1C(C)(C)C |c:3|
Show InChI InChI=1S/C19H22N2O/c1-12(2)17-13(3)21(18(22)14(17)11-20)16-10-8-7-9-15(16)19(4,5)6/h7-10,12H,3H2,1-2,4-6H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Spodoptera littoralis)		BDBM50488465
PNG
(CHEMBL2286413)
Show SMILES Cc1ccc(NC2CCN(CC2)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-14-2-8-17(9-3-14)21-18-10-12-22(13-11-18)19(23)15-4-6-16(20)7-5-15/h2-9,18,21H,10-13H2,1H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Spodoptera littoralis)		BDBM50488447
PNG
(CHEMBL2286412)
Show SMILES Cc1cc(C)cc(c1)C(=O)C1(CCCCC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C17H20F3NO2/c1-11-8-12(2)10-13(9-11)14(22)16(6-4-3-5-7-16)21-15(23)17(18,19)20/h8-10H,3-7H2,1-2H3,(H,21,23)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326774
PNG
(3-benzoyl-4-methyl-5-methylene-1-(3-(trifluorometh...)
Show SMILES CC1=C(C(=O)c2ccccc2)C(=O)N(C1=C)c1cccc(c1)C(F)(F)F |c:1|
Show InChI InChI=1S/C20H14F3NO2/c1-12-13(2)24(16-10-6-9-15(11-16)20(21,22)23)19(26)17(12)18(25)14-7-4-3-5-8-14/h3-11H,2H2,1H3
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n/an/a 1.75E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326756
PNG
(1-(2,6-diisopropylphenyl)-4-methyl-5-methylene-2-o...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=C)C(C)=C(C#N)C1=O |t:17|
Show InChI InChI=1S/C19H22N2O/c1-11(2)15-8-7-9-16(12(3)4)18(15)21-14(6)13(5)17(10-20)19(21)22/h7-9,11-12H,6H2,1-5H3
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n/an/a 2.35E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)		BDBM50488438
PNG
(CHEMBL2286414)
Show SMILES CC1CC(Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H34N2O/c1-19-7-14-24(15-8-19)30-26-18-21(3)31(27-16-9-20(2)17-25(26)27)28(32)22-10-12-23(13-11-22)29(4,5)6/h7-17,21,26,30H,18H2,1-6H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Bombyx mori Bm5 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide challenge...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Spodoptera littoralis)		BDBM50488448
PNG
(CHEMBL2286411)
Show SMILES CCc1ccc(cc1)C(=O)NC(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C23H29NO2/c1-7-17-8-10-18(11-9-17)22(26)24-21(23(4,5)6)20(25)19-13-15(2)12-16(3)14-19/h8-14,21H,7H2,1-6H3,(H,24,26)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Spodoptera littoralis)		BDBM50488438
PNG
(CHEMBL2286414)
Show SMILES CC1CC(Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H34N2O/c1-19-7-14-24(15-8-19)30-26-18-21(3)31(27-16-9-20(2)17-25(26)27)28(32)22-10-12-23(13-11-22)29(4,5)6/h7-17,21,26,30H,18H2,1-6H3
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n/an/a<2.51E+4n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)		BDBM50488477
PNG
(CHEMBL2286417)
Show SMILES CC1CC(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
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n/an/a 2.69E+4n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at ecdysone receptor in Bombyx mori Bm5 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide challenge...

Pest Manag Sci 66: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)		BDBM50326757
PNG
(1-(3,5-dichlorophenyl)-4-methyl-5-methylene-2-oxo-...)
Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)cc(Cl)c1 |c:1|
Show InChI InChI=1S/C13H8Cl2N2O/c1-7-8(2)17(13(18)12(7)6-16)11-4-9(14)3-10(15)5-11/h3-5H,2H2,1H3
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n/an/a 2.75E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay

Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair
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