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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50128306'   
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


(Choristoneura fumiferana)
BDBM50128306
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cycloheptyl]-2-...)
Show SMILES COc1cccc(C(=O)NC2(CCCCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C24H29NO4/c1-17-18(12-10-14-20(17)28-2)23(27)25-24(15-8-4-5-9-16-24)22(26)19-11-6-7-13-21(19)29-3/h6-7,10-14H,4-5,8-9,15-16H2,1-3H3,(H,25,27)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 3.36E+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
Ecdysone receptor


(Bombyx mori)
BDBM50128306
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cycloheptyl]-2-...)
Show SMILES COc1cccc(C(=O)NC2(CCCCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C24H29NO4/c1-17-18(12-10-14-20(17)28-2)23(27)25-24(15-8-4-5-9-16-24)22(26)19-11-6-7-13-21(19)29-3/h6-7,10-14H,4-5,8-9,15-16H2,1-3H3,(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 1.94E+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