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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor alpha Y537S' and Ligand = 'BDBM263843'   
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 alpha Y537S


(Homo sapiens (Human))
BDBM263843
PNG
(6-(6- ethoxy-5- fluoro-3- pyridyl)-5- [4-[(3S)-1- ...)
Show SMILES CCOc1ncc(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H34F2N2O3/c1-2-37-31-29(33)18-23(19-34-31)27-6-3-5-22-17-24(36)9-12-28(22)30(27)21-7-10-25(11-8-21)38-26-13-16-35(20-26)15-4-14-32/h7-12,17-19,26,36H,2-6,13-16,20H2,1H3/t26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/a7.425



SANOFI

US Patent


Assay Description
It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...


US Patent US9714221 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PB1
More data for this
Ligand-Target Pair