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BDBM50128301 CHEMBL54575::N-[1-(3,5-Dimethyl-benzoyl)-cyclobutyl]-3-methoxy-2-methyl-benzamide

InChI string: InChI=1S/C22H25NO3/c1-14-11-15(2)13-17(12-14)20(24)22(9-6-10-22)23-21(25)18-7-5-8-19(26-4)16(18)3/h5,7-8,11-13H,6,9-10H2,1-4H3,(H,23,25)

SMILES: COc1cccc(C(=O)NC2(CCC2)C(=O)c2cc(C)cc(C)c2)c1C

InChI Key: InChIKey=PZYWGXPZWGPWHS-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 = 50128301   
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)
BDBM50128301
PNG
(CHEMBL54575 | N-[1-(3,5-Dimethyl-benzoyl)-cyclobut...)
Show SMILES COc1cccc(C(=O)NC2(CCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C22H25NO3/c1-14-11-15(2)13-17(12-14)20(24)22(9-6-10-22)23-21(25)18-7-5-8-19(26-4)16(18)3/h5,7-8,11-13H,6,9-10H2,1-4H3,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 8.52E+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
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128301
PNG
(CHEMBL54575 | N-[1-(3,5-Dimethyl-benzoyl)-cyclobut...)
Show SMILES COc1cccc(C(=O)NC2(CCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C22H25NO3/c1-14-11-15(2)13-17(12-14)20(24)22(9-6-10-22)23-21(25)18-7-5-8-19(26-4)16(18)3/h5,7-8,11-13H,6,9-10H2,1-4H3,(H,23,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 1.00E+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