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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50204796'   
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))
BDBM50204796
PNG
((R)-2-(1-(4-(4-(piperidin-1-yl)butoxy)benzyl)-2-ph...)
Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCCCN3CCCCC3)cc2)c2ccccc12
Show InChI InChI=1S/C42H49N3O3/c1-32(16-17-33-18-22-36(46)23-19-33)43-41(47)30-39-38-14-6-7-15-40(38)45(42(39)35-12-4-2-5-13-35)31-34-20-24-37(25-21-34)48-29-11-10-28-44-26-8-3-9-27-44/h2,4-7,12-15,18-25,32,46H,3,8-11,16-17,26-31H2,1H3,(H,43,47)/t32-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2322-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.054
BindingDB Entry DOI: 10.7270/Q2PC322G
More data for this
Ligand-Target Pair