BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CCN)c3CC[C@@]21[H]

InChI Key: InChIKey=GPXWCTMPQHAUGA-VCNAKFCDSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50471441   
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 beta


(Homo sapiens (Human))		BDBM50471441
PNG
(CHEMBL1627560)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CCN)c3CC[C@@]21[H]
Show InChI InChI=1S/C20H29NO2/c1-20-10-8-14-12-4-6-18(22)16(9-11-21)13(12)2-3-15(14)17(20)5-7-19(20)23/h4,6,14-15,17,19,22-23H,2-3,5,7-11,21H2,1H3/t14-,15-,17+,19+,20+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.50E+3n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Affinity for estrogen receptor of human MCF-7 cells at 10e-5 M

J Med Chem 40: 3756-64 (1997)


Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95
More data for this
Ligand-Target Pair