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SMILES: Cn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1

InChI Key: InChIKey=JMQHXTPOQFKWGS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398933   
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))		BDBM50398933
PNG
(CHEMBL2178796)
Show SMILES Cn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1 |(23.78,-8.43,;23.45,-6.92,;22.04,-6.3,;22.2,-4.77,;23.7,-4.44,;24.48,-5.77,;26,-5.93,;26.9,-4.68,;28.43,-4.83,;29.07,-6.24,;30.6,-6.4,;28.17,-7.49,;26.63,-7.34,;25.73,-8.58,;24.32,-3.04,;25.86,-2.88,;26.48,-1.47,;25.57,-.23,;26.19,1.2,;24.03,-.4,;23.41,-1.81,;20.71,-7.08,;19.37,-6.31,;18.04,-7.09,;18.04,-8.63,;16.7,-9.4,;19.37,-9.4,;20.71,-8.63,)|
Show InChI InChI=1S/C23H18FNO3/c1-25-22(15-4-8-17(27)9-5-15)13-20(14-2-6-16(26)7-3-14)23(25)19-11-10-18(28)12-21(19)24/h2-13,26-28H,1H3
PDB

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PC cid
PC sid
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Similars
Article
PubMed
n/an/an/an/a 60n/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