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Compile Data Set for Download or QSAR

Found 52 hits of ic50 data for polymerid = 50000654,50000655,50004578,50006269   
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


(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


(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


(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)		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)		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)		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)		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


(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


(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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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)		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


(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
Ecdysone receptor


(Bombyx mori)		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 2.82E+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)		BDBM50326769
PNG
(4-butyl-1-(2-ethyl-6-methylphenyl)-5-methylene-2-o...)
Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1c(C)cccc1CC |c:4|
Show InChI InChI=1S/C19H22N2O/c1-5-7-11-16-14(4)21(19(22)17(16)12-20)18-13(3)9-8-10-15(18)6-2/h8-10H,4-7,11H2,1-3H3
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n/an/a 3.30E+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


(Drosophila melanogaster)		BDBM50414660
PNG
(CHEMBL564474)
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 3.89E+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


(Drosophila melanogaster)		BDBM50414649
PNG
(CHEMBL561275)
Show SMILES CC(C)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C |r,@:1|
Show InChI InChI=1S/C27H48O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27+/m1/s1
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n/an/a 4.17E+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


(Drosophila melanogaster)		BDBM50414647
PNG
(CHEMBL560194)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:16|
Show InChI InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1
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n/an/a 4.17E+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


(Lucilia cuprina)		BDBM50326762
PNG
(1-(2-tert-butyl-4-chlorophenyl)-4-isopropyl-5-meth...)
Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1ccc(Cl)cc1C(C)(C)C |c:3|
Show InChI InChI=1S/C19H21ClN2O/c1-11(2)17-12(3)22(18(23)14(17)10-21)16-8-7-13(20)9-15(16)19(4,5)6/h7-9,11H,3H2,1-2,4-6H3
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n/an/a 4.20E+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)		BDBM50326763
PNG
(4-isopropyl-1-(2-isopropyl-6-methylphenyl)-5-methy...)
Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1c(C)cccc1C(C)C |c:3|
Show InChI InChI=1S/C19H22N2O/c1-11(2)15-9-7-8-13(5)18(15)21-14(6)17(12(3)4)16(10-20)19(21)22/h7-9,11-12H,6H2,1-5H3
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n/an/a 4.70E+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)		BDBM50488462
PNG
(CHEMBL2286415)
Show SMILES CC1CCc2ccccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClNO/c1-12-6-7-13-4-2-3-5-16(13)19(12)17(20)14-8-10-15(18)11-9-14/h2-5,8-12H,6-7H2,1H3
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n/an/a 4.79E+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)		BDBM50326754
PNG
(4-methyl-5-methylene-2-oxo-1-(2-(trifluoromethyl)p...)
Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1ccccc1C(F)(F)F |c:1|
Show InChI InChI=1S/C14H9F3N2O/c1-8-9(2)19(13(20)10(8)7-18)12-6-4-3-5-11(12)14(15,16)17/h3-6H,2H2,1H3
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n/an/a 4.80E+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)		BDBM50326772
PNG
(1-(2-isopropyl-6-methylphenyl)-5-methylene-2-oxo-4...)
Show SMILES CC(C)c1cccc(C)c1N1C(=C)C(=C(C#N)C1=O)c1ccccc1 |t:14|
Show InChI InChI=1S/C22H20N2O/c1-14(2)18-12-8-9-15(3)21(18)24-16(4)20(19(13-23)22(24)25)17-10-6-5-7-11-17/h5-12,14H,4H2,1-3H3
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n/an/a 5.50E+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


(Lucilia cuprina)		BDBM50326768
PNG
(4-butyl-1-(2-chloro-6-methylphenyl)-5-methylene-2-...)
Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1c(C)cccc1Cl |c:4|
Show InChI InChI=1S/C17H17ClN2O/c1-4-5-8-13-12(3)20(17(21)14(13)10-19)16-11(2)7-6-9-15(16)18/h6-7,9H,3-5,8H2,1-2H3
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n/an/a 5.60E+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)		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 6.76E+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)		BDBM50414653
PNG
(CHEMBL558256)
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 8.91E+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


(Lucilia cuprina)		BDBM50326771
PNG
(4-isobutyl-1-mesityl-5-methylene-2-oxo-2,5-dihydro...)
Show SMILES CC(C)CC1=C(C#N)C(=O)N(C1=C)c1c(C)cc(C)cc1C |c:4|
Show InChI InChI=1S/C19H22N2O/c1-11(2)7-16-15(6)21(19(22)17(16)10-20)18-13(4)8-12(3)9-14(18)5/h8-9,11H,6-7H2,1-5H3
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n/an/a 1.75E+5n/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


(Drosophila melanogaster)		BDBM50414648
PNG
(CHEMBL559545)
Show SMILES CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@H]2[C@@H]3CC=C4CCCC[C@@]4(C)[C@@H]3CC[C@@]12C |r,t:16,@:1|
Show InChI InChI=1S/C27H46O2/c1-18(2)9-14-24(28)27(5,29)23-13-12-21-20-11-10-19-8-6-7-16-25(19,3)22(20)15-17-26(21,23)4/h10,18,20-24,28-29H,6-9,11-17H2,1-5H3/t20-,21+,22+,23-,24-,25+,26+,27+/m0/s1
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n/an/a>2.45E+5n/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)		BDBM50414650
PNG
(CHEMBL550600)
Show SMILES CC(C)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@@]4(C)[C@@H]3CC[C@@]12C |r,@:1|
Show InChI InChI=1S/C27H48O2/c1-18(2)9-14-24(28)27(5,29)23-13-12-21-20-11-10-19-8-6-7-16-25(19,3)22(20)15-17-26(21,23)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20+,21+,22+,23+,24-,25+,26+,27-/m0/s1
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n/an/a>2.45E+5n/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)		BDBM50414654
PNG
(CHEMBL560139)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H48O4/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/h16-24,28-31H,6-15H2,1-5H3/t17-,18-,19-,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1
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n/an/a>2.45E+5n/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)		BDBM50414656
PNG
(CHEMBL558652)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H48O4/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/h16-24,28-31H,6-15H2,1-5H3/t17-,18-,19-,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
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n/an/a>2.45E+5n/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
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