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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50488456'   
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


(Spodoptera littoralis)
BDBM50488456
PNG
(CHEMBL2286431)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C20H24N2O2/c1-5-15-11-13-16(14-12-15)18(23)21-22(20(2,3)4)19(24)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 110n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay


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)
BDBM50488456
PNG
(CHEMBL2286431)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C20H24N2O2/c1-5-15-11-13-16(14-12-15)18(23)21-22(20(2,3)4)19(24)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.90n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay


Pest Manag Sci 66: 1215-29 (2010)


Article DOI: 10.1002/ps.1998
BindingDB Entry DOI: 10.7270/Q2FT8PXB
More data for this
Ligand-Target Pair
Ecdysone receptor


(Bombyx mori)
BDBM50488456
PNG
(CHEMBL2286431)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C20H24N2O2/c1-5-15-11-13-16(14-12-15)18(23)21-22(20(2,3)4)19(24)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 17n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay


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