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BDBM50299554 1,2,7,9,10,11,12,14-Octahydro-14-oxo-4-(propylthio)-8H-[1]-benzothieno[2',3':4,5]pyrimido[1,2-a]azocine-3-carboxaldehyde::CHEMBL572148

SMILES: CCCSC1=C(CCc2c1sc1nc3CCCCCCn3c(=O)c21)C=O

InChI Key: InChIKey=OBHVXNLTAFASEQ-UHFFFAOYSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50299554   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50299554
PNG
(1,2,7,9,10,11,12,14-Octahydro-14-oxo-4-(propylthio...)
Show SMILES CCCSC1=C(CCc2c1sc1nc3CCCCCCn3c(=O)c21)C=O
Show InChI InChI=1S/C20H24N2O2S2/c1-2-11-25-17-13(12-23)8-9-14-16-19(26-18(14)17)21-15-7-5-3-4-6-10-22(15)20(16)24/h12H,2-11H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



FIN-00014 University of Helsinki

Curated by ChEMBL


Assay Description
Activity at human recombinant ERbeta by fluorescence polarization assay


J Med Chem 52: 6660-71 (2009)


Article DOI: 10.1021/jm900928k
BindingDB Entry DOI: 10.7270/Q2RV0PMD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50299554
PNG
(1,2,7,9,10,11,12,14-Octahydro-14-oxo-4-(propylthio...)
Show SMILES CCCSC1=C(CCc2c1sc1nc3CCCCCCn3c(=O)c21)C=O
Show InChI InChI=1S/C20H24N2O2S2/c1-2-11-25-17-13(12-23)8-9-14-16-19(26-18(14)17)21-15-7-5-3-4-6-10-22(15)20(16)24/h12H,2-11H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



FIN-00014 University of Helsinki

Curated by ChEMBL


Assay Description
Activity at human recombinant ERalpha by fluorescence polarization assay


J Med Chem 52: 6660-71 (2009)


Article DOI: 10.1021/jm900928k
BindingDB Entry DOI: 10.7270/Q2RV0PMD
More data for this
Ligand-Target Pair