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SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1ccc(CO)cc1

InChI Key: InChIKey=BNTDWNVWYDBRAW-VKINHPFQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309550   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))		BDBM50309550
PNG
(17alpha-[(4-Hydroxymethylphenyl)]ethynyl-estra-1,3...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1ccc(CO)cc1 |r|
Show InChI InChI=1S/C27H30O3/c1-26-13-11-23-22-9-7-21(29)16-20(22)6-8-24(23)25(26)12-15-27(26,30)14-10-18-2-4-19(17-28)5-3-18/h2-5,7,9,16,23-25,28-30H,6,8,11-13,15,17H2,1H3/t23-,24-,25+,26+,27+/m1/s1
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PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 27n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Estrogenic activity at ERalpha in human Ishikawa cells assessed as stimulation of alkaline phosphatase activity after 4 days by microplate scanning s...

Bioorg Med Chem 18: 809-21 (2010)


Article DOI: 10.1016/j.bmc.2009.11.046
BindingDB Entry DOI: 10.7270/Q28K797G
More data for this
Ligand-Target Pair