BindingDB logo
myBDB logout

PDB code 2I0G

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 hits 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol receptor beta (ERβ)

  (250/250 = 100%)
(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.170 -55.2n/an/an/an/an/a7.522



Eli Lilly and Company



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)

  (250/250 = 100%)
(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.190 -54.9n/an/an/an/an/a7.522



Eli Lilly and Company



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5563-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.009
BindingDB Entry DOI: 10.7270/Q2416VB9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)

  (250/250 = 100%)
(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.190 -54.9n/an/a 0.660n/an/a7.522



Eli Lilly and Company



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


J Med Chem 49: 6155-7 (2006)


Article DOI: 10.1021/jm060491j
BindingDB Entry DOI: 10.7270/Q2N014SV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)

  (250/250 = 100%)
(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.190 -54.9n/an/an/an/an/a7.522



Eli Lilly and Company



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)

  (250/250 = 100%)
(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.470 -52.7n/an/an/an/an/a7.522



Eli Lilly and Company



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output