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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50525266'   
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))		BDBM50525266
PNG
(CHEMBL4547986)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNCCCCCCNC(=O)CCC2=[N+]3C(C=C2)=CC2=CC=C(C)C2[B-]3(F)F)cc1)c1ccccc1 |c:34,36,t:31,38,40|
Show InChI InChI=1S/C44H50BF2N3O3/c1-3-41(33-11-7-6-8-12-33)43(34-15-22-39(51)23-16-34)35-17-24-40(25-18-35)53-30-29-48-27-9-4-5-10-28-49-42(52)26-21-37-19-20-38-31-36-14-13-32(2)44(36)45(46,47)50(37)38/h6-8,11-20,22-25,31,44,48,51H,3-5,9-10,21,26-30H2,1-2H3,(H,49,52)/b43-41-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of ERalpha (unknown origin) after 18 hrs by dual luciferase reporter gene assay

Eur J Med Chem 177: 116-143 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.023
BindingDB Entry DOI: 10.7270/Q2W099B9
More data for this
Ligand-Target Pair