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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50121615'   
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 beta


(Homo sapiens (Human))		BDBM50121615
PNG
(2-(4-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES CN(C)C(=O)CN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H39ClN8O2/c1-35(2)26(40)21-37-17-19-38(20-18-37)29-33-27(31-15-14-23-8-12-25(39)13-9-23)32-28(34-29)36(3)16-4-5-22-6-10-24(30)11-7-22/h6-13,39H,4-5,14-21H2,1-3H3,(H,31,32,33,34)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 270n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand

J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair