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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50128308'   
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)
BDBM50128308
PNG
(CHEMBL293929 | N-[4-(3,5-Dimethyl-benzoyl)-1,1-dio...)
Show SMILES COc1cccc(C(=O)NC2(CCS(=O)(=O)CC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO5S/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-30(27,28)11-9-23)24-22(26)19-6-5-7-20(29-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 3.00E+4n/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)
BDBM50128308
PNG
(CHEMBL293929 | N-[4-(3,5-Dimethyl-benzoyl)-1,1-dio...)
Show SMILES COc1cccc(C(=O)NC2(CCS(=O)(=O)CC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO5S/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-30(27,28)11-9-23)24-22(26)19-6-5-7-20(29-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 1.50E+4n/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