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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor/Ultraspiracle protein'   
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/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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MCE
KEGG
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Article
PubMed
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 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)
Reactome pathway
KEGG

UniProtKB/TrEMBL

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MCE
KEGG
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PubMed
<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)
PDB

UniProtKB/TrEMBL

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MCE
KEGG
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PubMed
<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/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
PDB

UniProtKB/TrEMBL

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CHEMBL
MCE
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Article
PubMed
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