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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50157489'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50157489
PNG
(4-[1-(3-fluorophenyl)-6-hydroxy-1H-indazol-3-yl]be...)
Show SMILES Oc1ccc(-c2nn(-c3cccc(F)c3)c3cc(O)ccc23)c(O)c1
Show InChI InChI=1S/C19H13FN2O3/c20-11-2-1-3-12(8-11)22-17-9-13(23)4-6-15(17)19(21-22)16-7-5-14(24)10-18(16)25/h1-10,23-25H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription


J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50157489
PNG
(4-[1-(3-fluorophenyl)-6-hydroxy-1H-indazol-3-yl]be...)
Show SMILES Oc1ccc(-c2nn(-c3cccc(F)c3)c3cc(O)ccc23)c(O)c1
Show InChI InChI=1S/C19H13FN2O3/c20-11-2-1-3-12(8-11)22-17-9-13(23)4-6-15(17)19(21-22)16-7-5-14(24)10-18(16)25/h1-10,23-25H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Activity at human ERalpha expressed in HAECT1 cells assessed as stimulation of creatine kinase activity


J Med Chem 47: 6435-8 (2004)


Article DOI: 10.1021/jm049194+
BindingDB Entry DOI: 10.7270/Q2639P7B
More data for this
Ligand-Target Pair