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BDBM22423 4-[(1Z)-4-chloro-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol::4-hydroxytamoxifen (4-OHT) analog, 3

SMILES: CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccc(O)cc1

InChI Key: InChIKey=OIUCUUXSMIJSEB-QPLCGJKRSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 22423   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen-Related Receptor, gamma


(Homo sapiens (Human))
BDBM22423
PNG
(4-[(1Z)-4-chloro-1-{4-[2-(dimethylamino)ethoxy]phe...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H28ClNO2/c1-28(2)18-19-30-24-14-10-22(11-15-24)26(21-8-12-23(29)13-9-21)25(16-17-27)20-6-4-3-5-7-20/h3-15,29H,16-19H2,1-2H3/b26-25-
PDB
MMDB

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Article
PubMed
n/an/a 13n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen receptor


(Homo sapiens (Human))
BDBM22423
PNG
(4-[(1Z)-4-chloro-1-{4-[2-(dimethylamino)ethoxy]phe...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H28ClNO2/c1-28(2)18-19-30-24-14-10-22(11-15-24)26(21-8-12-23(29)13-9-21)25(16-17-27)20-6-4-3-5-7-20/h3-15,29H,16-19H2,1-2H3/b26-25-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair