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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50173656'   
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))
BDBM50173656
PNG
(1-(4-Bromomethyl-phenyl)-2-(4-hydroxy-phenyl)-3H-i...)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(CBr)cc1 |t:8|
Show InChI InChI=1S/C22H17BrO2/c23-13-14-1-3-16(4-2-14)22-20-10-9-19(25)11-17(20)12-21(22)15-5-7-18(24)8-6-15/h1-11,24-25H,12-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
59n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol


J Med Chem 48: 5989-6003 (2005)


Article DOI: 10.1021/jm050226i
BindingDB Entry DOI: 10.7270/Q2B857P7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50173656
PNG
(1-(4-Bromomethyl-phenyl)-2-(4-hydroxy-phenyl)-3H-i...)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(CBr)cc1 |t:8|
Show InChI InChI=1S/C22H17BrO2/c23-13-14-1-3-16(4-2-14)22-20-10-9-19(25)11-17(20)12-21(22)15-5-7-18(24)8-6-15/h1-11,24-25H,12-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 109n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Transcriptional activation of estrogen receptor alpha in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-3...


J Med Chem 48: 5989-6003 (2005)


Article DOI: 10.1021/jm050226i
BindingDB Entry DOI: 10.7270/Q2B857P7
More data for this
Ligand-Target Pair