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BDBM50336274 1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c][1]oxacyclotetradecine-14,16-diyl diacetate::CHEMBL1669776

SMILES: CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1

InChI Key: InChIKey=YJVCOVKCTYVELW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50336274   
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))
BDBM50336274
PNG
(1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c]...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C21H28O6/c1-15(22)26-18-13-17-11-9-7-5-3-4-6-8-10-12-25-21(24)20(17)19(14-18)27-16(2)23/h13-14H,3-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50336274
PNG
(1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c]...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C21H28O6/c1-15(22)26-18-13-17-11-9-7-5-3-4-6-8-10-12-25-21(24)20(17)19(14-18)27-16(2)23/h13-14H,3-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.22E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of progesterone receptor 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)
BDBM50336274
PNG
(1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c]...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C21H28O6/c1-15(22)26-18-13-17-11-9-7-5-3-4-6-8-10-12-25-21(24)20(17)19(14-18)27-16(2)23/h13-14H,3-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+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