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PDB code 1GWQ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM20628
PNG
(2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...)
Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
PDB

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PC sid
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PubMed
n/an/a 1.41E+3n/a 50n/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...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM20628
PNG
(2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...)
Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
PDB

UniProtKB/SwissProt

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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Activity against estrogen receptor alpha


J Med Chem 51: 3661-80 (2008)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM20628
PNG
(2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...)
Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Activity against estrogen receptor alpha


J Med Chem 51: 3661-80 (2008)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output