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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50128303'   
Target
(Institution)
LigandTarget
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)
BDBM50128303
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cyclopentyl]-2-...)
Show SMILES COc1cccc(C(=O)NC2(CCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C22H25NO4/c1-15-16(10-8-12-18(15)26-2)21(25)23-22(13-6-7-14-22)20(24)17-9-4-5-11-19(17)27-3/h4-5,8-12H,6-7,13-14H2,1-3H3,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 5.16E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK-293 cell-l...


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128303
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cyclopentyl]-2-...)
Show SMILES COc1cccc(C(=O)NC2(CCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C22H25NO4/c1-15-16(10-8-12-18(15)26-2)21(25)23-22(13-6-7-14-22)20(24)17-9-4-5-11-19(17)27-3/h4-5,8-12H,6-7,13-14H2,1-3H3,(H,23,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 6.61E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair