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PDB code 5DWE

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor

  (256/257 > 99%)
(Homo sapiens (Human))
BDBM50005591
PNG
(CHEMBL141807 | CHEMBL3234617)
Show SMILES Oc1ccc(cc1)C(=Nc1ccccc1Cl)c1ccc(O)cc1
Show InChI InChI=1S/C19H14ClNO2/c20-17-3-1-2-4-18(17)21-19(13-5-9-15(22)10-6-13)14-7-11-16(23)12-8-14/h1-12,22-23H
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Similars

PDB
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha (unknown origin) expressed in human HepG2 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase rep...


J Med Chem 57: 3532-45 (2014)


Article DOI: 10.1021/jm500268j
BindingDB Entry DOI: 10.7270/Q2MS3V9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

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