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SMILES: CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F

InChI Key: InChIKey=IZLPIICHZOQKTM-UHFFFAOYSA-N

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 = 50398938   
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 receptor


(Homo sapiens (Human))
BDBM50398938
PNG
(CHEMBL2178792)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F |(39.48,-40.05,;39.15,-38.54,;40.29,-37.51,;39.96,-36,;38.56,-35.38,;38.71,-33.85,;40.22,-33.52,;40.99,-34.86,;42.52,-35.01,;43.41,-33.76,;44.94,-33.91,;45.58,-35.32,;47.11,-35.48,;44.68,-36.57,;43.15,-36.42,;42.25,-37.67,;40.84,-32.12,;42.37,-31.96,;42.99,-30.55,;42.08,-29.31,;42.7,-27.9,;40.54,-29.48,;39.93,-30.89,;37.22,-36.16,;35.88,-35.4,;34.55,-36.17,;34.55,-37.71,;33.22,-38.48,;35.89,-38.48,;37.22,-37.71,;38.56,-38.48,)|
Show InChI InChI=1S/C25H21F2NO3/c1-2-11-28-24(19-9-7-17(30)12-22(19)26)14-21(15-3-5-16(29)6-4-15)25(28)20-10-8-18(31)13-23(20)27/h3-10,12-14,29-31H,2,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.270n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50398938
PNG
(CHEMBL2178792)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F |(39.48,-40.05,;39.15,-38.54,;40.29,-37.51,;39.96,-36,;38.56,-35.38,;38.71,-33.85,;40.22,-33.52,;40.99,-34.86,;42.52,-35.01,;43.41,-33.76,;44.94,-33.91,;45.58,-35.32,;47.11,-35.48,;44.68,-36.57,;43.15,-36.42,;42.25,-37.67,;40.84,-32.12,;42.37,-31.96,;42.99,-30.55,;42.08,-29.31,;42.7,-27.9,;40.54,-29.48,;39.93,-30.89,;37.22,-36.16,;35.88,-35.4,;34.55,-36.17,;34.55,-37.71,;33.22,-38.48,;35.89,-38.48,;37.22,-37.71,;38.56,-38.48,)|
Show InChI InChI=1S/C25H21F2NO3/c1-2-11-28-24(19-9-7-17(30)12-22(19)26)14-21(15-3-5-16(29)6-4-15)25(28)20-10-8-18(31)13-23(20)27/h3-10,12-14,29-31H,2,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair