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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' and Ligand = 'BDBM50414653'   
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


(Drosophila melanogaster)
BDBM50414653
PNG
(CHEMBL558256)
Show SMILES CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O4/c1-16(2)6-9-24(30)27(5,31)23-8-7-19-18-15-22(29)21-14-17(28)10-12-25(21,3)20(18)11-13-26(19,23)4/h16-21,23-24,28,30-31H,6-15H2,1-5H3/t17-,18+,19+,20+,21+,23+,24-,25-,26+,27-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.91E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed


Bioorg Med Chem 17: 5868-73 (2009)


Article DOI: 10.1016/j.bmc.2009.07.011
BindingDB Entry DOI: 10.7270/Q2H70H2S
More data for this
Ligand-Target Pair