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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 = 'BDBM263742'   
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))
BDBM263742
PNG
(US9714221, Example 76)
Show SMILES COc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H34FNO3/c1-35-26-11-6-22(7-12-26)29-5-2-4-24-20-25(34)10-15-30(24)31(29)23-8-13-27(14-9-23)36-28-16-19-33(21-28)18-3-17-32/h6-15,20,28,34H,2-5,16-19,21H2,1H3/t28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/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)

More data for this
Ligand-Target Pair