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BDBM50128315 CHEMBL300989::N-[1-(3,5-Dimethyl-benzoyl)-cycloheptyl]-3-methoxy-2-methyl-benzamide

InChI string: InChI=1S/C25H31NO3/c1-17-14-18(2)16-20(15-17)23(27)25(12-7-5-6-8-13-25)26-24(28)21-10-9-11-22(29-4)19(21)3/h9-11,14-16H,5-8,12-13H2,1-4H3,(H,26,28)

SMILES: COc1cccc(C(=O)NC2(CCCCCC2)C(=O)c2cc(C)cc(C)c2)c1C

InChI Key: InChIKey=CBHFZMWINDELST-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 = 50128315   
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


(Choristoneura fumiferana)
BDBM50128315
PNG
(CHEMBL300989 | N-[1-(3,5-Dimethyl-benzoyl)-cyclohe...)
Show SMILES COc1cccc(C(=O)NC2(CCCCCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C25H31NO3/c1-17-14-18(2)16-20(15-17)23(27)25(12-7-5-6-8-13-25)26-24(28)21-10-9-11-22(29-4)19(21)3/h9-11,14-16H,5-8,12-13H2,1-4H3,(H,26,28)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 2.97E+3n/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)
BDBM50128315
PNG
(CHEMBL300989 | N-[1-(3,5-Dimethyl-benzoyl)-cyclohe...)
Show SMILES COc1cccc(C(=O)NC2(CCCCCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C25H31NO3/c1-17-14-18(2)16-20(15-17)23(27)25(12-7-5-6-8-13-25)26-24(28)21-10-9-11-22(29-4)19(21)3/h9-11,14-16H,5-8,12-13H2,1-4H3,(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a 1.61E+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