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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 = 'BDBM50471371'   
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))
BDBM50471371
PNG
(CHEMBL296759)
Show SMILES Cc1cc(O)c(C)c2sc(c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C30H31NO4S/c1-19-18-25(33)20(2)29-26(19)27(30(36-29)22-6-10-23(32)11-7-22)28(34)21-8-12-24(13-9-21)35-17-16-31-14-4-3-5-15-31/h6-13,18,32-33H,3-5,14-17H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est...


J Med Chem 40: 146-67 (1997)


Article DOI: 10.1021/jm9606352
BindingDB Entry DOI: 10.7270/Q2PZ5CKJ
More data for this
Ligand-Target Pair