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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50488468'   
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


(Bombyx mori)
BDBM50488468
PNG
(CHEMBL2286448)
Show SMILES Cc1cc(C)cc(c1)C(=O)C1(CCCCC1)NC(=O)c1ccc2OCCCc2c1C
Show InChI InChI=1S/C26H31NO3/c1-17-14-18(2)16-20(15-17)24(28)26(11-5-4-6-12-26)27-25(29)22-9-10-23-21(19(22)3)8-7-13-30-23/h9-10,14-16H,4-8,11-13H2,1-3H3,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.40n/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
Ecdysone receptor


(Bombyx mori)
BDBM50488468
PNG
(CHEMBL2286448)
Show SMILES Cc1cc(C)cc(c1)C(=O)C1(CCCCC1)NC(=O)c1ccc2OCCCc2c1C
Show InChI InChI=1S/C26H31NO3/c1-17-14-18(2)16-20(15-17)24(28)26(11-5-4-6-12-26)27-25(29)22-9-10-23-21(19(22)3)8-7-13-30-23/h9-10,14-16H,4-8,11-13H2,1-3H3,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.40n/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


(Spodoptera littoralis)
BDBM50488468
PNG
(CHEMBL2286448)
Show SMILES Cc1cc(C)cc(c1)C(=O)C1(CCCCC1)NC(=O)c1ccc2OCCCc2c1C
Show InChI InChI=1S/C26H31NO3/c1-17-14-18(2)16-20(15-17)24(28)26(11-5-4-6-12-26)27-25(29)22-9-10-23-21(19(22)3)8-7-13-30-23/h9-10,14-16H,4-8,11-13H2,1-3H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.40n/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