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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 = 'BDBM50494963'   
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))		BDBM50494963
PNG
(CHEMBL3099431 | US10570077, Compound 13)
Show SMILES [H][C@@]12CCC3(OC(C)C[C@@H]3C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C23H32O2/c1-14-12-15(2)25-23(14)11-9-21-20-6-4-16-13-17(24)5-7-18(16)19(20)8-10-22(21,23)3/h5,7,13-15,19-21,24H,4,6,8-12H2,1-3H3/t14-,15?,19+,20+,21-,22-,23?/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 111n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay

Bioorg Med Chem 22: 303-10 (2014)


Article DOI: 10.1016/j.bmc.2013.11.024
BindingDB Entry DOI: 10.7270/Q2FF3WBH
More data for this
Ligand-Target Pair