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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM269359'   
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))
BDBM269359
PNG
((E)-3-(4-((2-(2,3- dimethylphenyl)-6- hydroxybenzo...)
Show SMILES Cc1cccc(-c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c1C
Show InChI InChI=1S/C25H20O4S/c1-15-4-3-5-20(16(15)2)25-24(21-12-9-18(26)14-22(21)30-25)29-19-10-6-17(7-11-19)8-13-23(27)28/h3-14,26H,1-2H3,(H,27,28)/b13-8+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...


US Patent US10058534 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XSG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM269359
PNG
((E)-3-(4-((2-(2,3- dimethylphenyl)-6- hydroxybenzo...)
Show SMILES Cc1cccc(-c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c1C
Show InChI InChI=1S/C25H20O4S/c1-15-4-3-5-20(16(15)2)25-24(21-12-9-18(26)14-22(21)30-25)29-19-10-6-17(7-11-19)8-13-23(27)28/h3-14,26H,1-2H3,(H,27,28)/b13-8+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 151n/an/an/an/a5.137



Novartis AG

US Patent


Assay Description
The ER transcription assay is a reporter assay that is based on the ability of ER to induce transcription from a luciferase reporter gene containing ...


US Patent US10058534 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XSG
More data for this
Ligand-Target Pair