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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50128314'   
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)
BDBM50128314
PNG
(CHEMBL55108 | N-[1-(3,5-Dimethyl-benzoyl)-cyclohex...)
Show SMILES CCc1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C24H29NO2/c1-4-19-8-10-20(11-9-19)23(27)25-24(12-6-5-7-13-24)22(26)21-15-17(2)14-18(3)16-21/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/an/an/a 1.51E+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