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BDBM20632 2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol::benzthiophene compound, 7

SMILES: CCCc1cc(ccc1O)-c1cc2ccc(O)cc2s1

InChI Key: InChIKey=DAYMYZZIEYQKPM-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 = 20632   
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))
BDBM20632
PNG
(2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol ...)
Show SMILES CCCc1cc(ccc1O)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C17H16O2S/c1-2-3-11-8-12(5-7-15(11)19)16-9-13-4-6-14(18)10-17(13)20-16/h4-10,18-19H,2-3H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.94E+3n/a 186n/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))
BDBM20632
PNG
(2-(4-hydroxy-3-propylphenyl)-1-benzothiophen-6-ol ...)
Show SMILES CCCc1cc(ccc1O)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C17H16O2S/c1-2-3-11-8-12(5-7-15(11)19)16-9-13-4-6-14(18)10-17(13)20-16/h4-10,18-19H,2-3H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/a 162n/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