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BDBM50174926 (S)-(6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(pyrrolidin-1-yl)propoxy)phenyl)methanone::CHEMBL198803

SMILES: C[C@@H](COc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1)N1CCCC1

InChI Key: InChIKey=UQRWUYACRDDBAE-SFHVURJKSA-N

Data: 2 IC50

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 2 hits for monomerid = 50174926   
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))
BDBM50174926
PNG
((S)-(6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen...)
Show SMILES C[C@@H](COc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1)N1CCCC1
Show InChI InChI=1S/C28H27NO4S/c1-18(29-14-2-3-15-29)17-33-23-11-6-19(7-12-23)27(32)26-24-13-10-22(31)16-25(24)34-28(26)20-4-8-21(30)9-5-20/h4-13,16,18,30-31H,2-3,14-15,17H2,1H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to recombinant human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 15: 5124-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.084
BindingDB Entry DOI: 10.7270/Q2BZ65MS
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50174926
PNG
((S)-(6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen...)
Show SMILES C[C@@H](COc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1)N1CCCC1
Show InChI InChI=1S/C28H27NO4S/c1-18(29-14-2-3-15-29)17-33-23-11-6-19(7-12-23)27(32)26-24-13-10-22(31)16-25(24)34-28(26)20-4-8-21(30)9-5-20/h4-13,16,18,30-31H,2-3,14-15,17H2,1H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to recombinant human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 15: 5124-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.084
BindingDB Entry DOI: 10.7270/Q2BZ65MS
More data for this
Ligand-Target Pair