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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 = 'BDBM50219403'   
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))
BDBM50219403
PNG
(CB-7432 | Idoxifene | SB-223030)
Show SMILES CC\C(=C(/c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27-
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue


Bioorg Med Chem Lett 12: 17-9 (2002)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair