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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM20597'   
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))
BDBM20597
PNG
(1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-2-...)
Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C32H40N2O2/c1-24(2)25-7-11-28(12-8-25)34-20-17-26-23-29(35)13-16-31(26)32(34,3)27-9-14-30(15-10-27)36-22-21-33-18-5-4-6-19-33/h7-16,23-24,35H,4-6,17-22H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



University of Calcutta

Curated by ChEMBL


Assay Description
Inhibition of transcriptional activation by human estrogen receptor alpha


Bioorg Med Chem Lett 15: 957-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.048
BindingDB Entry DOI: 10.7270/Q28S4R5W
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20597
PNG
(1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-2-...)
Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C32H40N2O2/c1-24(2)25-7-11-28(12-8-25)34-20-17-26-23-29(35)13-16-31(26)32(34,3)27-9-14-30(15-10-27)36-22-21-33-18-5-4-6-19-33/h7-16,23-24,35H,4-6,17-22H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71.0n/an/an/an/an/an/a



University of Calcutta

Curated by ChEMBL


Assay Description
Inhibition of binding to human estrogen receptor alpha


Bioorg Med Chem Lett 15: 957-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.048
BindingDB Entry DOI: 10.7270/Q28S4R5W
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20597
PNG
(1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-2-...)
Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C32H40N2O2/c1-24(2)25-7-11-28(12-8-25)34-20-17-26-23-29(35)13-16-31(26)32(34,3)27-9-14-30(15-10-27)36-22-21-33-18-5-4-6-19-33/h7-16,23-24,35H,4-6,17-22H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/a 5.20n/an/a7.422



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair