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BDBM50414648 CHEMBL559545

SMILES: CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@H]2[C@@H]3CC=C4CCCC[C@@]4(C)[C@@H]3CC[C@@]12C

InChI Key: InChIKey=XIRMANMWPYJKKT-WBPDBFRTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50414648   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Ecdysone receptor


(Drosophila melanogaster)		BDBM50414648
PNG
(CHEMBL559545)
Show SMILES CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@H]2[C@@H]3CC=C4CCCC[C@@]4(C)[C@@H]3CC[C@@]12C |r,t:16,@:1|
Show InChI InChI=1S/C27H46O2/c1-18(2)9-14-24(28)27(5,29)23-13-12-21-20-11-10-19-8-6-7-16-25(19,3)22(20)15-17-26(21,23)4/h10,18,20-24,28-29H,6-9,11-17H2,1-5H3/t20-,21+,22+,23-,24-,25+,26+,27+/m0/s1
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Similars
Article
PubMed
n/an/a>2.45E+5n/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