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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50144780'   
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))
BDBM50144780
PNG
(3-(3-Bromo-4-hydroxy-phenyl)-2,5-dimethyl-2H-benzo...)
Show SMILES CC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:12|
Show InChI InChI=1S/C16H14BrNO3/c1-8-5-11(19)7-14-15(8)18-16(9(2)21-14)10-3-4-13(20)12(17)6-10/h3-7,9,19-20H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.


Bioorg Med Chem Lett 14: 2327-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.099
BindingDB Entry DOI: 10.7270/Q2HT2PVS
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50144780
PNG
(3-(3-Bromo-4-hydroxy-phenyl)-2,5-dimethyl-2H-benzo...)
Show SMILES CC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:12|
Show InChI InChI=1S/C16H14BrNO3/c1-8-5-11(19)7-14-15(8)18-16(9(2)21-14)10-3-4-13(20)12(17)6-10/h3-7,9,19-20H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 46n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to activate estrogen receptor 1-mediated transcription.


Bioorg Med Chem Lett 14: 2327-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.099
BindingDB Entry DOI: 10.7270/Q2HT2PVS
More data for this
Ligand-Target Pair