BindingDB logo
myBDB logout

PubMed code 17918820

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50224172
PNG
(CHEMBL235496 | methyl 4-(4-(2-fluorobenzyloxy)phen...)
Show SMILES COC(=O)C1C(c2ccc(OCc3ccccc3F)cc2)c2ccc(O)cc2OC1=N
Show InChI InChI=1S/C24H20FNO5/c1-29-24(28)22-21(18-11-8-16(27)12-20(18)31-23(22)26)14-6-9-17(10-7-14)30-13-15-4-2-3-5-19(15)25/h2-12,21-22,26-27H,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluoromone from human recombinant ERalpha by fluorescence polarization assay


J Med Chem 50: 5301-10 (2007)


Article DOI: 10.1021/jm0700262
BindingDB Entry DOI: 10.7270/Q2F47NW6
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50224174
PNG
(2-amino-7-hydroxy-4-[4-(4-methyl-benzyloxy)-phenyl...)
Show SMILES COC(=O)C1C(c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(O)cc2OC1=N
Show InChI InChI=1S/C25H23NO5/c1-15-3-5-16(6-4-15)14-30-19-10-7-17(8-11-19)22-20-12-9-18(27)13-21(20)31-24(26)23(22)25(28)29-2/h3-13,22-23,26-27H,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluoromone from human recombinant ERalpha by fluorescence polarization assay


J Med Chem 50: 5301-10 (2007)


Article DOI: 10.1021/jm0700262
BindingDB Entry DOI: 10.7270/Q2F47NW6
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50224172
PNG
(CHEMBL235496 | methyl 4-(4-(2-fluorobenzyloxy)phen...)
Show SMILES COC(=O)C1C(c2ccc(OCc3ccccc3F)cc2)c2ccc(O)cc2OC1=N
Show InChI InChI=1S/C24H20FNO5/c1-29-24(28)22-21(18-11-8-16(27)12-20(18)31-23(22)26)14-6-9-17(10-7-14)30-13-15-4-2-3-5-19(15)25/h2-12,21-22,26-27H,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluoromone from human recombinant ERbeta by fluorescence polarization assay


J Med Chem 50: 5301-10 (2007)


Article DOI: 10.1021/jm0700262
BindingDB Entry DOI: 10.7270/Q2F47NW6
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50224174
PNG
(2-amino-7-hydroxy-4-[4-(4-methyl-benzyloxy)-phenyl...)
Show SMILES COC(=O)C1C(c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(O)cc2OC1=N
Show InChI InChI=1S/C25H23NO5/c1-15-3-5-16(6-4-15)14-30-19-10-7-17(8-11-19)22-20-12-9-18(27)13-21(20)31-24(26)23(22)25(28)29-2/h3-13,22-23,26-27H,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 915n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluoromone from human recombinant ERbeta by fluorescence polarization assay


J Med Chem 50: 5301-10 (2007)


Article DOI: 10.1021/jm0700262
BindingDB Entry DOI: 10.7270/Q2F47NW6
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50224173
PNG
(3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro...)
Show SMILES COc1cc(ccc1O)C1Nc2ccccc2C(=O)N1Cc1ccccc1 |w:9.9|
Show InChI InChI=1S/C22H20N2O3/c1-27-20-13-16(11-12-19(20)25)21-23-18-10-6-5-9-17(18)22(26)24(21)14-15-7-3-2-4-8-15/h2-13,21,23,25H,14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluoromone from human recombinant ERalpha by fluorescence polarization assay


J Med Chem 50: 5301-10 (2007)


Article DOI: 10.1021/jm0700262
BindingDB Entry DOI: 10.7270/Q2F47NW6
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50224173
PNG
(3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro...)
Show SMILES COc1cc(ccc1O)C1Nc2ccccc2C(=O)N1Cc1ccccc1 |w:9.9|
Show InChI InChI=1S/C22H20N2O3/c1-27-20-13-16(11-12-19(20)25)21-23-18-10-6-5-9-17(18)22(26)24(21)14-15-7-3-2-4-8-15/h2-13,21,23,25H,14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluoromone from human recombinant ERbeta by fluorescence polarization assay


J Med Chem 50: 5301-10 (2007)


Article DOI: 10.1021/jm0700262
BindingDB Entry DOI: 10.7270/Q2F47NW6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%