BindingDB logo
myBDB logout

Patent code US8552057

Compile Data Set for Download or QSAR
Found 12 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 beta


(Homo sapiens (Human))
BDBM23451
PNG
(5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}....)
Show SMILES Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/a 18.6n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM23451
PNG
(5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}....)
Show SMILES Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
US Patent
n/an/a 75.7n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
US Patent
n/an/a 98.7n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM103430
PNG
(US8552057, 5)
Show SMILES Oc1cc(Cc2ccccc2)c2CC(C(=O)Oc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17ClO3/c23-17-8-6-15(7-9-17)20-13-19-16(10-14-4-2-1-3-5-14)11-18(24)12-21(19)26-22(20)25/h1-9,11-12,20,24H,10,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM103430
PNG
(US8552057, 5)
Show SMILES Oc1cc(Cc2ccccc2)c2CC(C(=O)Oc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17ClO3/c23-17-8-6-15(7-9-17)20-13-19-16(10-14-4-2-1-3-5-14)11-18(24)12-21(19)26-22(20)25/h1-9,11-12,20,24H,10,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 250n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50166895
PNG
(3-(4-Hydroxy-phenyl)-4H-chromen-7-ol | CHEMBL19556...)
Show SMILES Oc1ccc(cc1)C1=COc2cc(O)ccc2C1 |t:8|
Show InChI InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8-9,16-17H,7H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
n/an/a 680n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50166897
PNG
(CHEMBL192548 | Furan-2-carboxylic acid 2-oxo-4-phe...)
Show SMILES O=C(Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1)c1ccco1
Show InChI InChI=1S/C20H12O5/c21-19-12-16(13-5-2-1-3-6-13)15-9-8-14(11-18(15)25-19)24-20(22)17-7-4-10-23-17/h1-12H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 2.32E+3n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM23420
PNG
(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/a 2.80E+3n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50166894
PNG
(6-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-chromen-4...)
Show SMILES COc1cc(ccc1O)-c1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C16H12O5/c1-20-16-6-9(2-4-12(16)18)15-8-13(19)11-7-10(17)3-5-14(11)21-15/h2-8,17-18H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 4.48E+3n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
US Patent
n/an/a 4.68E+3n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50166898
PNG
(2-Benzofuran-2-yl-1-(2,4-dihydroxy-phenyl)-ethanon...)
Show SMILES Oc1ccc(C(=O)Cc2cc3ccccc3o2)c(O)c1
Show InChI InChI=1S/C16H12O4/c17-11-5-6-13(14(18)8-11)15(19)9-12-7-10-3-1-2-4-16(10)20-12/h1-8,17-18H,9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
n/an/a 4.30E+4n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50166898
PNG
(2-Benzofuran-2-yl-1-(2,4-dihydroxy-phenyl)-ethanon...)
Show SMILES Oc1ccc(C(=O)Cc2cc3ccccc3o2)c(O)c1
Show InChI InChI=1S/C16H12O4/c17-11-5-6-13(14(18)8-11)15(19)9-12-7-10-3-1-2-4-16(10)20-12/h1-8,17-18H,9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
n/an/a 8.57E+4n/an/an/an/an/an/a



University of Southern California

US Patent


Assay Description
The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competiti...


US Patent US8552057 (2013)


BindingDB Entry DOI: 10.7270/Q2CZ35TN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%