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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50488453'   
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)		BDBM50488453
PNG
(CHEMBL2286439)
Show SMILES CCCCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1Cl)C(C)(C)C
Show InChI InChI=1S/C24H31ClN2O2/c1-7-8-9-18-10-12-19(13-11-18)22(28)26-27(24(4,5)6)23(29)20-15-16(2)14-17(3)21(20)25/h10-15H,7-9H2,1-6H3,(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.15E+3n/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)		BDBM50488453
PNG
(CHEMBL2286439)
Show SMILES CCCCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1Cl)C(C)(C)C
Show InChI InChI=1S/C24H31ClN2O2/c1-7-8-9-18-10-12-19(13-11-18)22(28)26-27(24(4,5)6)23(29)20-15-16(2)14-17(3)21(20)25/h10-15H,7-9H2,1-6H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.12E+3n/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