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Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ecdysone receptor


(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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326775
PNG
(CHEMBL1254537 | N,1-Bis(3-chlorophenyl)-4-methyl-5...)
Show SMILES CC1=C(C(=O)Nc2cccc(Cl)c2)C(=O)N(C1=C)c1cccc(Cl)c1
Show InChI InChI=1S/C19H14Cl2N2O2/c1-11-12(2)23(16-8-4-6-14(21)10-16)19(25)17(11)18(24)22-15-7-3-5-13(20)9-15/h3-10H,2H2,1H3,(H,22,24)
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n/an/a 2.50E+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


Citation and Details
More data for this
Ligand-Target Pair
Ecdysone receptor


(Lucilia cuprina)
BDBM50326764
PNG
(1-(2,4-dichloro-6-methylphenyl)-4-isopropyl-5-meth...)
Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1c(C)cc(Cl)cc1Cl
Show InChI InChI=1S/C16H14Cl2N2O/c1-8(2)14-10(4)20(16(21)12(14)7-19)15-9(3)5-11(17)6-13(15)18/h5-6,8H,4H2,1-3H3
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n/an/a 4.80E+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


Citation and Details
More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128297
PNG
(5-Ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic...)
Show SMILES CCc1c2OCCOc2ccc1C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C26H31NO4/c1-4-20-21(8-9-22-23(20)31-13-12-30-22)25(29)27-26(10-6-5-7-11-26)24(28)19-15-17(2)14-18(3)16-19/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,27,29)
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n/an/an/an/a 390n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


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

More data for this
Ligand-Target Pair
Ecdysone receptor


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



RHeoGene

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128303
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cyclopentyl]-2-...)
Show SMILES COc1cccc(C(=O)NC2(CCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C22H25NO4/c1-15-16(10-8-12-18(15)26-2)21(25)23-22(13-6-7-14-22)20(24)17-9-4-5-11-19(17)27-3/h4-5,8-12H,6-7,13-14H2,1-3H3,(H,23,25)
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n/an/an/an/a 6.61E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


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

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128304
PNG
(CHEMBL52252 | N-[4-(3,5-Dimethyl-benzoyl)-tetrahyd...)
Show SMILES COc1cccc(C(=O)NC2(CCSCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO3S/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-28-11-9-23)24-22(26)19-6-5-7-20(27-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
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n/an/an/an/a 1.80E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


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

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128305
PNG
(3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenz...)
Show SMILES COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C
Show InChI InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
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n/an/an/an/a 280n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


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

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128298
PNG
(CHEMBL299671 | N-[1-(3,5-Dimethyl-benzoyl)-1-ethyl...)
Show SMILES CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H29NO3/c1-7-23(8-2,21(25)18-13-15(3)12-16(4)14-18)24-22(26)19-10-9-11-20(27-6)17(19)5/h9-14H,7-8H2,1-6H3,(H,24,26)
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n/an/an/an/a 6.23E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


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

More data for this
Ligand-Target Pair
Ecdysone receptor


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



RHeoGene

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
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