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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50366664'   
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))
BDBM50366664
PNG
(CHEMBL1627353)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](Sc1ccc(Br)cc1)C(O)c1cc(O)ccc31
Show InChI InChI=1S/C24H27BrO3S/c1-24-11-10-17-16-7-4-14(26)12-18(16)22(28)23(21(17)19(24)8-9-20(24)27)29-15-5-2-13(25)3-6-15/h2-7,12,17,19-23,26-28H,8-11H2,1H3/t17-,19+,20+,21-,22?,23+,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 397n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha


Bioorg Med Chem Lett 10: 147-51 (2000)


BindingDB Entry DOI: 10.7270/Q2JH3MQR
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50366664
PNG
(CHEMBL1627353)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](Sc1ccc(Br)cc1)C(O)c1cc(O)ccc31
Show InChI InChI=1S/C24H27BrO3S/c1-24-11-10-17-16-7-4-14(26)12-18(16)22(28)23(21(17)19(24)8-9-20(24)27)29-15-5-2-13(25)3-6-15/h2-7,12,17,19-23,26-28H,8-11H2,1H3/t17-,19+,20+,21-,22?,23+,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 7n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha


Bioorg Med Chem Lett 10: 147-51 (2000)


BindingDB Entry DOI: 10.7270/Q2JH3MQR
More data for this
Ligand-Target Pair