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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor alpha D538G' and Ligand = 'BDBM263712'   
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 D538G


(Homo sapiens (Human))
BDBM263712
PNG
(6-(2,3- dihydro- 1,4- benzodioxin-6-yl)-5- [4-[(3S...)
Show SMILES Oc1ccc2c(CCCC(c3ccc4OCCOc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1S/C32H34FNO4/c33-14-2-15-34-16-13-27(21-34)38-26-9-5-22(6-10-26)32-28(4-1-3-23-19-25(35)8-11-29(23)32)24-7-12-30-31(20-24)37-18-17-36-30/h5-12,19-20,27,35H,1-4,13-18,21H2/t27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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