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BDBM20635 1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethan-1-one::benzthiophene compound, 10

SMILES: CC(=O)c1cc(ccc1O)-c1cc2ccc(O)cc2s1

InChI Key: InChIKey=OMWHRKOJZOAICL-UHFFFAOYSA-N

Data: 2 IC50  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 = 20635   
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))
BDBM20635
PNG
(1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phe...)
Show SMILES CC(=O)c1cc(ccc1O)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C16H12O3S/c1-9(17)13-6-10(3-5-14(13)19)15-7-11-2-4-12(18)8-16(11)20-15/h2-8,18-19H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/a>1.00E+3n/an/an/a25



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 45: 1399-401 (2002)


Article DOI: 10.1021/jm015577l
BindingDB Entry DOI: 10.7270/Q27M0665
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20635
PNG
(1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phe...)
Show SMILES CC(=O)c1cc(ccc1O)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C16H12O3S/c1-9(17)13-6-10(3-5-14(13)19)15-7-11-2-4-12(18)8-16(11)20-15/h2-8,18-19H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/a>1.00E+3n/an/a7.422



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 45: 1399-401 (2002)


Article DOI: 10.1021/jm015577l
BindingDB Entry DOI: 10.7270/Q27M0665
More data for this
Ligand-Target Pair