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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 = 'BDBM50366658'   
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))		BDBM50366658
PNG
(CHEMBL1628170)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](Cc1cc(O)ccc31)Sc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C27H30O4S/c1-27-13-12-21-20-8-5-18(28)14-17(20)15-23(26(21)22(27)9-10-24(27)29)32-19-6-2-16(3-7-19)4-11-25(30)31/h2-8,11,14,21-24,26,28-29H,9-10,12-13,15H2,1H3,(H,30,31)/b11-4+/t21-,22+,23-,24+,26-,27+/m1/s1
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PubMed
n/an/a 21n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta

Bioorg Med Chem Lett 10: 147-51 (2000)


BindingDB Entry DOI: 10.7270/Q2JH3MQR
More data for this
Ligand-Target Pair