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PubMed code 16451049

Compile data set for download or QSAR
Found 4 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))
BDBM50181362
PNG
((R)-(+)-7,9-difluoro-5-[4-(2-piperidin-1-ylethoxy)...)
Show SMILES Oc1ccc2c3[C@H](Oc4c(F)cc(F)cc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H27F2NO3/c31-21-17-26-25-10-6-20-16-22(34)7-11-24(20)28(25)29(36-30(26)27(32)18-21)19-4-8-23(9-5-19)35-15-14-33-12-2-1-3-13-33/h4-11,16-18,29,34H,1-3,12-15H2/t29-/m1/s1
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from ERalpha


J Med Chem 49: 843-6 (2006)


Article DOI: 10.1021/jm0509795
BindingDB Entry DOI: 10.7270/Q20R9Q60
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50181362
PNG
((R)-(+)-7,9-difluoro-5-[4-(2-piperidin-1-ylethoxy)...)
Show SMILES Oc1ccc2c3[C@H](Oc4c(F)cc(F)cc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H27F2NO3/c31-21-17-26-25-10-6-20-16-22(34)7-11-24(20)28(25)29(36-30(26)27(32)18-21)19-4-8-23(9-5-19)35-15-14-33-12-2-1-3-13-33/h4-11,16-18,29,34H,1-3,12-15H2/t29-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from ERbeta


J Med Chem 49: 843-6 (2006)


Article DOI: 10.1021/jm0509795
BindingDB Entry DOI: 10.7270/Q20R9Q60
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50181363
PNG
((S)-(-)-7,9-difluoro-5-[4-(2-piperidin-1-ylethoxy)...)
Show SMILES Oc1ccc2c3[C@@H](Oc4c(F)cc(F)cc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H27F2NO3/c31-21-17-26-25-10-6-20-16-22(34)7-11-24(20)28(25)29(36-30(26)27(32)18-21)19-4-8-23(9-5-19)35-15-14-33-12-2-1-3-13-33/h4-11,16-18,29,34H,1-3,12-15H2/t29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from ERalpha


J Med Chem 49: 843-6 (2006)


Article DOI: 10.1021/jm0509795
BindingDB Entry DOI: 10.7270/Q20R9Q60
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50181363
PNG
((S)-(-)-7,9-difluoro-5-[4-(2-piperidin-1-ylethoxy)...)
Show SMILES Oc1ccc2c3[C@@H](Oc4c(F)cc(F)cc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H27F2NO3/c31-21-17-26-25-10-6-20-16-22(34)7-11-24(20)28(25)29(36-30(26)27(32)18-21)19-4-8-23(9-5-19)35-15-14-33-12-2-1-3-13-33/h4-11,16-18,29,34H,1-3,12-15H2/t29-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from ERbeta


J Med Chem 49: 843-6 (2006)


Article DOI: 10.1021/jm0509795
BindingDB Entry DOI: 10.7270/Q20R9Q60
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%