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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50157486'   
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))
BDBM50157486
PNG
(4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL | CH...)
Show SMILES Oc1ccc(-c2n[nH]c3cc(O)ccc23)c(O)c1
Show InChI InChI=1S/C13H10N2O3/c16-7-1-3-9-11(5-7)14-15-13(9)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 48n/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
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50157486
PNG
(4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL | CH...)
Show SMILES Oc1ccc(-c2n[nH]c3cc(O)ccc23)c(O)c1
Show InChI InChI=1S/C13H10N2O3/c16-7-1-3-9-11(5-7)14-15-13(9)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 298n/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
3D
3D Structure (crystal)