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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 = 'BDBM263671'   
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))
BDBM263671
PNG
(6-(2- chloro-3- fluoro- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES Oc1ccc2c(CCCC(c3cccc(F)c3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1S/C30H30ClF2NO2/c31-30-27(6-2-7-28(30)33)26-5-1-4-21-18-22(35)10-13-25(21)29(26)20-8-11-23(12-9-20)36-24-14-17-34(19-24)16-3-15-32/h2,6-13,18,24,35H,1,3-5,14-17,19H2/t24-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/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