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BDBM50264694 3-(4-(3-butyl-2-(4-methoxyphenyl)naphthalen-1-yloxy)phenyl)acrylic acid::CHEMBL491236

SMILES: CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(OC)cc1

InChI Key: InChIKey=YHTKRDZQJNHQQN-XDHOZWIPSA-N

Data: 2 KI

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 = 50264694   
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))
BDBM50264694
PNG
(3-(4-(3-butyl-2-(4-methoxyphenyl)naphthalen-1-ylox...)
Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C30H28O4/c1-3-4-7-24-20-23-8-5-6-9-27(23)30(29(24)22-13-17-25(33-2)18-14-22)34-26-15-10-21(11-16-26)12-19-28(31)32/h5-6,8-20H,3-4,7H2,1-2H3,(H,31,32)/b19-12+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50264694
PNG
(3-(4-(3-butyl-2-(4-methoxyphenyl)naphthalen-1-ylox...)
Show SMILES CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C30H28O4/c1-3-4-7-24-20-23-8-5-6-9-27(23)30(29(24)22-13-17-25(33-2)18-14-22)34-26-15-10-21(11-16-26)12-19-28(31)32/h5-6,8-20H,3-4,7H2,1-2H3,(H,31,32)/b19-12+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
162n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5075-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.121
BindingDB Entry DOI: 10.7270/Q2C53KNF
More data for this
Ligand-Target Pair