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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50520566'   
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))		BDBM50520566
PNG
(CHEMBL4458123)
Show SMILES COc1cc(cc2CN([C@H]3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCCCCOc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C45H50N4O6/c1-54-40-28-34(26-33-29-49(45(53)43(33)40)39-18-19-41(51)46-44(39)52)48-23-21-47(22-24-48)20-6-3-7-25-55-36-14-10-31(11-15-36)42-37(30-8-4-2-5-9-30)16-12-32-27-35(50)13-17-38(32)42/h2,4-5,8-11,13-15,17,26-28,37,39,42,50H,3,6-7,12,16,18-25,29H2,1H3,(H,46,51,52)/t37-,39+,42+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.490n/an/an/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Inhibition of ERalpha in human T47D cells by ERE-driven luciferase reporter gene assay based target engagement assay

ACS Med Chem Lett 11: 407-408 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00071
BindingDB Entry DOI: 10.7270/Q28S4T9H
More data for this
Ligand-Target Pair