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BDBM50166755 5-Hydroxy-2-(4-hydroxy-phenyl)-3-methylsulfanyl-inden-1-one::CHEMBL192765

SMILES: CSC1=C(C(=O)c2ccc(O)cc12)c1ccc(O)cc1

InChI Key: InChIKey=OVFXCANAVHBWGG-UHFFFAOYSA-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 = 50166755   
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))
BDBM50166755
PNG
(5-Hydroxy-2-(4-hydroxy-phenyl)-3-methylsulfanyl-in...)
Show SMILES CSC1=C(C(=O)c2ccc(O)cc12)c1ccc(O)cc1 |t:2|
Show InChI InChI=1S/C16H12O3S/c1-20-16-13-8-11(18)6-7-12(13)15(19)14(16)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human estrogen receptor alpha


Bioorg Med Chem Lett 15: 3137-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.013
BindingDB Entry DOI: 10.7270/Q25Q4VMB
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50166755
PNG
(5-Hydroxy-2-(4-hydroxy-phenyl)-3-methylsulfanyl-in...)
Show SMILES CSC1=C(C(=O)c2ccc(O)cc12)c1ccc(O)cc1 |t:2|
Show InChI InChI=1S/C16H12O3S/c1-20-16-13-8-11(18)6-7-12(13)15(19)14(16)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human estrogen receptor beta


Bioorg Med Chem Lett 15: 3137-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.013
BindingDB Entry DOI: 10.7270/Q25Q4VMB
More data for this
Ligand-Target Pair