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BDBM50128297 5-Ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid [1-(3,5-dimethyl-benzoyl)-cyclohexyl]-amide::CHEMBL57730

InChI string: InChI=1S/C26H31NO4/c1-4-20-21(8-9-22-23(20)31-13-12-30-22)25(29)27-26(10-6-5-7-11-26)24(28)19-15-17(2)14-18(3)16-19/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,27,29)

SMILES: CCc1c2OCCOc2ccc1C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1

InChI Key: InChIKey=PXZUFZXCCVLGIP-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50128297   
Target
(Institution)
LigandTarget
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


(Bombyx mori)
BDBM50128297
PNG
(5-Ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic...)
Show SMILES CCc1c2OCCOc2ccc1C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C26H31NO4/c1-4-20-21(8-9-22-23(20)31-13-12-30-22)25(29)27-26(10-6-5-7-11-26)24(28)19-15-17(2)14-18(3)16-19/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 740n/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
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128297
PNG
(5-Ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic...)
Show SMILES CCc1c2OCCOc2ccc1C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C26H31NO4/c1-4-20-21(8-9-22-23(20)31-13-12-30-22)25(29)27-26(10-6-5-7-11-26)24(28)19-15-17(2)14-18(3)16-19/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,27,29)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 390n/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