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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 = 'BDBM50217399'   
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))
BDBM50217399
PNG
(CHEMBL146765)
Show SMILES COc1ccc(cc1)-c1sc2cc(OC)ccc2c1C(=O)c1ccc(cc1)S(=O)(=O)CCN1CCCCC1
Show InChI InChI=1S/C30H31NO5S2/c1-35-23-10-6-22(7-11-23)30-28(26-15-12-24(36-2)20-27(26)37-30)29(32)21-8-13-25(14-9-21)38(33,34)19-18-31-16-4-3-5-17-31/h6-15,20H,3-5,16-19H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair