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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50128396'   
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))
BDBM50128396
PNG
(2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.600n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128396
PNG
(2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 390n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1907-10 (2003)


BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair