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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 = 'BDBM263764'   
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))
BDBM263764
PNG
(6-(2,2- dimethyl- 3H- benzo- furan-5-yl)-5- [4-[(3...)
Show SMILES CC1(C)Cc2cc(ccc2O1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C34H38FNO3/c1-34(2)21-26-19-25(9-14-32(26)39-34)30-6-3-5-24-20-27(37)10-13-31(24)33(30)23-7-11-28(12-8-23)38-29-15-18-36(22-29)17-4-16-35/h7-14,19-20,29,37H,3-6,15-18,21-22H2,1-2H3/t29-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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)


BindingDB Entry DOI: 10.7270/Q2N58PB1
More data for this
Ligand-Target Pair