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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 = 'BDBM263757'   
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))
BDBM263757
PNG
(5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...)
Show SMILES COc1cc(C)c(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H35FN2O3/c1-21-17-30(36-2)33-19-29(21)28-6-3-5-23-18-24(35)9-12-27(23)31(28)22-7-10-25(11-8-22)37-26-13-16-34(20-26)15-4-14-32/h7-12,17-19,26,35H,3-6,13-16,20H2,1-2H3/t26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/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