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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50488450'   
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)		BDBM50488450
PNG
(CHEMBL2286445)
Show SMILES Cc1c2CCCOc2ccc1C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C
Show InChI InChI=1S/C22H25ClN2O3/c1-14-15-9-7-13-28-19(15)12-11-16(14)20(26)24-25(22(2,3)4)21(27)17-8-5-6-10-18(17)23/h5-6,8,10-12H,7,9,13H2,1-4H3,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.90n/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: 526-35 (2010)


Article DOI: 10.1002/ps.1903
BindingDB Entry DOI: 10.7270/Q2KK9FPH
More data for this
Ligand-Target Pair
Ecdysone receptor


(Spodoptera littoralis)		BDBM50488450
PNG
(CHEMBL2286445)
Show SMILES Cc1c2CCCOc2ccc1C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C
Show InChI InChI=1S/C22H25ClN2O3/c1-14-15-9-7-13-28-19(15)12-11-16(14)20(26)24-25(22(2,3)4)21(27)17-8-5-6-10-18(17)23/h5-6,8,10-12H,7,9,13H2,1-4H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.40n/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