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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50173665'   
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))
BDBM50173665
PNG
(3-Ethyl-6-hydroxy-2-(4-hydroxy-phenyl)-1H-indene-1...)
Show SMILES CCC1=C(C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc12)c1ccc(O)cc1 |t:2|
Show InChI InChI=1S/C31H34N2O4/c1-2-26-27-15-12-24(35)20-28(27)30(29(26)21-6-10-23(34)11-7-21)31(36)32-22-8-13-25(14-9-22)37-19-18-33-16-4-3-5-17-33/h6-15,20,30,34-35H,2-5,16-19H2,1H3,(H,32,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
184n/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))
BDBM50173665
PNG
(3-Ethyl-6-hydroxy-2-(4-hydroxy-phenyl)-1H-indene-1...)
Show SMILES CCC1=C(C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc12)c1ccc(O)cc1 |t:2|
Show InChI InChI=1S/C31H34N2O4/c1-2-26-27-15-12-24(35)20-28(27)30(29(26)21-6-10-23(34)11-7-21)31(36)32-22-8-13-25(14-9-22)37-19-18-33-16-4-3-5-17-33/h6-15,20,30,34-35H,2-5,16-19H2,1H3,(H,32,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 100n/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