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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50146257'   
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))
BDBM50146257
PNG
((2S,3R)-2-[4-(2-Dimethylamino-ethoxy)-phenyl]-3-(3...)
Show SMILES CN(C)CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1cccc(O)c1
Show InChI InChI=1S/C24H25NO4S/c1-25(2)12-13-28-20-9-6-16(7-10-20)23-24(17-4-3-5-18(26)14-17)30-22-15-19(27)8-11-21(22)29-23/h3-11,14-15,23-24,26-27H,12-13H2,1-2H3/t23-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Potency in cellular transactivation assay utilizing HEK-293 cells stably co-transfected with human estrogen receptor beta and the alkaline phosphatas...


Bioorg Med Chem Lett 14: 2741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.074
BindingDB Entry DOI: 10.7270/Q28P5ZZ1
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50146257
PNG
((2S,3R)-2-[4-(2-Dimethylamino-ethoxy)-phenyl]-3-(3...)
Show SMILES CN(C)CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1cccc(O)c1
Show InChI InChI=1S/C24H25NO4S/c1-25(2)12-13-28-20-9-6-16(7-10-20)23-24(17-4-3-5-18(26)14-17)30-22-15-19(27)8-11-21(22)29-23/h3-11,14-15,23-24,26-27H,12-13H2,1-2H3/t23-,24+/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
Potency in cellular transactivation assay utilizing HEK-293 cells stably co-transfected with human estrogen receptor alpha and the alkaline phosphata...


Bioorg Med Chem Lett 14: 2741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.074
BindingDB Entry DOI: 10.7270/Q28P5ZZ1
More data for this
Ligand-Target Pair