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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50253353'   
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))
BDBM50253353
PNG
(CHEMBL495136 | N2-Benzyl-N4-naphthalen-1-ylmethyl-...)
Show SMILES C(Cc1cc(NCc2cccc3ccccc23)nc(NCc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C30H28N4/c1-3-10-23(11-4-1)18-19-27-20-29(34-30(33-27)32-21-24-12-5-2-6-13-24)31-22-26-16-9-15-25-14-7-8-17-28(25)26/h1-17,20H,18-19,21-22H2,(H2,31,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha (unknown origin) assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 ...


J Med Chem 51: 6512-30 (2008)


Article DOI: 10.1021/jm800698b
BindingDB Entry DOI: 10.7270/Q2KD1XRF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50253353
PNG
(CHEMBL495136 | N2-Benzyl-N4-naphthalen-1-ylmethyl-...)
Show SMILES C(Cc1cc(NCc2cccc3ccccc23)nc(NCc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C30H28N4/c1-3-10-23(11-4-1)18-19-27-20-29(34-30(33-27)32-21-24-12-5-2-6-13-24)31-22-26-16-9-15-25-14-7-8-17-28(25)26/h1-17,20H,18-19,21-22H2,(H2,31,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene ...


J Med Chem 51: 6512-30 (2008)


Article DOI: 10.1021/jm800698b
BindingDB Entry DOI: 10.7270/Q2KD1XRF
More data for this
Ligand-Target Pair