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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50368794'   
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))		BDBM50368794
PNG
(CHEMBL4165638)
Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(F)c1)N1CC[C@@H](C)C1 |r,c:22|
Show InChI InChI=1S/C30H32FNO3/c1-19-13-14-32(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(31)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,33H,13-14,17-18H2,1-3H3/t19-,20+,30?/m1/s1
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PC cid
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Similars
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by...

J Med Chem 61: 7917-7928 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00921
BindingDB Entry DOI: 10.7270/Q2MP55SC
More data for this
Ligand-Target Pair