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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50174924   
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


(Homo sapiens (Human))
BDBM50174924
PNG
((S)-1-(4-(2-(pyrrolidin-1-yl)propoxy)benzyl)-2-(4-...)
Show SMILES C[C@@H](COc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1)N1CCCC1
Show InChI InChI=1S/C29H32N2O3/c1-20(30-15-3-4-16-30)19-34-26-12-5-22(6-13-26)18-31-28-14-11-25(33)17-27(28)21(2)29(31)23-7-9-24(32)10-8-23/h5-14,17,20,32-33H,3-4,15-16,18-19H2,1-2H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to recombinant human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 15: 5124-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.084
BindingDB Entry DOI: 10.7270/Q2BZ65MS
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50174924
PNG
((S)-1-(4-(2-(pyrrolidin-1-yl)propoxy)benzyl)-2-(4-...)
Show SMILES C[C@@H](COc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1)N1CCCC1
Show InChI InChI=1S/C29H32N2O3/c1-20(30-15-3-4-16-30)19-34-26-12-5-22(6-13-26)18-31-28-14-11-25(33)17-27(28)21(2)29(31)23-7-9-24(32)10-8-23/h5-14,17,20,32-33H,3-4,15-16,18-19H2,1-2H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to recombinant human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 15: 5124-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.084
BindingDB Entry DOI: 10.7270/Q2BZ65MS
More data for this
Ligand-Target Pair