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BDBM50517932 CHEMBL4459147

SMILES: OC[C@]1(O)CC[C@@H](CC1)c1ccc(O)cc1

InChI Key: InChIKey=NUQILUFCMKRSFR-AULYBMBSSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50517932   
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))		BDBM50517932
PNG
(CHEMBL4459147)
Show SMILES OC[C@]1(O)CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:6.9,2.1,(73.8,-15.59,;73.81,-17.13,;72.48,-17.9,;73.82,-18.67,;71.72,-16.57,;70.17,-16.56,;69.41,-17.9,;70.18,-19.23,;71.71,-19.24,;67.87,-17.9,;67.1,-16.56,;65.56,-16.56,;64.79,-17.89,;63.25,-17.89,;65.57,-19.23,;67.11,-19.22,)|
Show InChI InChI=1S/C13H18O3/c14-9-13(16)7-5-11(6-8-13)10-1-3-12(15)4-2-10/h1-4,11,14-16H,5-9H2/t11-,13-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.70E+3n/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay

J Med Chem 61: 4720-4738 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01601
More data for this
Ligand-Target Pair