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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 = 'BDBM50471262'   
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))		BDBM50471262
PNG
(CHEMBL1628147)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](CCCCNC(=O)CBr)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C24H34BrNO3/c1-24-13-16(4-2-3-11-26-22(29)14-25)23-18-8-6-17(27)12-15(18)5-7-19(23)20(24)9-10-21(24)28/h6,8,12,16,19-21,23,27-28H,2-5,7,9-11,13-14H2,1H3,(H,26,29)/t16-,19-,20-,21-,23+,24-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



INSERM Unit� 439

Curated by ChEMBL


Assay Description
Compound concentration required to induce transcriptional activation in MVLN cells equal to 50% of 0.1 nM estradiol response

J Med Chem 40: 2217-27 (1997)


Article DOI: 10.1021/jm970019l
BindingDB Entry DOI: 10.7270/Q20G3NVN
More data for this
Ligand-Target Pair