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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 = 'BDBM263665'   
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))
BDBM263665
PNG
(5-[4-[(3S)- 1-(3- fluoro- propyl)pyrrolidin- 3-yl]...)
Show SMILES Oc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1
Show InChI InChI=1S/C30H32FNO3/c31-15-3-16-32-17-14-27(20-32)35-26-12-9-22(10-13-26)30-28(23-5-1-6-24(33)18-23)7-2-4-21-8-11-25(34)19-29(21)30/h1,5-6,8-13,18-19,27,33-34H,2-4,7,14-17,20H2/t27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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