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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50162800'   
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 beta


(Homo sapiens (Human))		BDBM50162800
PNG
((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-((S)...)
Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCCC1
Show InChI InChI=1S/C29H33NO4/c1-19(30-15-3-4-16-30)18-33-25-12-7-22(8-13-25)29-28(21-5-9-23(31)10-6-21)20(2)26-17-24(32)11-14-27(26)34-29/h5-14,17,19-20,28-29,31-32H,3-4,15-16,18H2,1-2H3/t19-,20+,28+,29-/m0/s1
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PC sid
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Similars
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor beta

Bioorg Med Chem Lett 15: 1675-81 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.046
BindingDB Entry DOI: 10.7270/Q2S46RFB
More data for this
Ligand-Target Pair