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BDBM50336278 (R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxacyclododecine-12,14-diyl diacetate::CHEMBL1669762

SMILES: C[C@@H]1CCCCCCCc2cc(OC(C)=O)cc(OC(C)=O)c2C(=O)O1

InChI Key: InChIKey=PIQRQWIURJQPNE-CYBMUJFWSA-N

Data: 2 IC50

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 = 50336278   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50336278
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES C[C@@H]1CCCCCCCc2cc(OC(C)=O)cc(OC(C)=O)c2C(=O)O1
Show InChI InChI=1S/C20H26O6/c1-13-9-7-5-4-6-8-10-16-11-17(25-14(2)21)12-18(26-15(3)22)19(16)20(23)24-13/h11-13H,4-10H2,1-3H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.36E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ERalpha ligand binding domain expressed in HEK293T cells


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336278
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES C[C@@H]1CCCCCCCc2cc(OC(C)=O)cc(OC(C)=O)c2C(=O)O1
Show InChI InChI=1S/C20H26O6/c1-13-9-7-5-4-6-8-10-16-11-17(25-14(2)21)12-18(26-15(3)22)19(16)20(23)24-13/h11-13H,4-10H2,1-3H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.78E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair