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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estradiol receptor beta (ERβ)' and Ligand = 'BDBM50187240'   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187240
PNG
(2,2-Dimethyl-propionic acid (R)-8-(2,2-dimethyl-pr...)
Show SMILES CC(C)(C)C(=O)Oc1ccc2C3=C(COc2c1)c1ccc(OC(=O)C(C)(C)C)cc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C39H45NO7/c1-38(2,3)36(41)45-27-15-17-30-32(22-27)44-24-31-29-16-14-28(46-37(42)39(4,5)6)23-33(29)47-35(34(30)31)25-10-12-26(13-11-25)43-21-20-40-18-8-7-9-19-40/h10-17,22-23,35H,7-9,18-21,24H2,1-6H3/t35-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta


J Med Chem 49: 3056-9 (2006)


Article DOI: 10.1021/jm060353u
BindingDB Entry DOI: 10.7270/Q2G73D9H
More data for this
Ligand-Target Pair