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

InChI Key: InChIKey=KGJDINVSTHNVTB-WDMKGZBDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50471442   
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))
BDBM50471442
PNG
(CHEMBL1627932)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CCCO)c3CC[C@@]21[H]
Show InChI InChI=1S/C21H30O3/c1-21-11-10-15-13-6-8-19(23)17(3-2-12-22)14(13)4-5-16(15)18(21)7-9-20(21)24/h6,8,15-16,18,20,22-24H,2-5,7,9-12H2,1H3/t15-,16-,18+,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.32E+3n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Affinity for estrogen receptor of human MCF-7 cells


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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50471442
PNG
(CHEMBL1627932)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(CCCO)c3CC[C@@]21[H]
Show InChI InChI=1S/C21H30O3/c1-21-11-10-15-13-6-8-19(23)17(3-2-12-22)14(13)4-5-16(15)18(21)7-9-20(21)24/h6,8,15-16,18,20,22-24H,2-5,7,9-12H2,1H3/t15-,16-,18+,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.95E+3n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Induction of pS2 Gene expression in human MCF-7 cells


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