BindingDB logo
myBDB logout

PubMed code 12749895

Compile data set for download or QSAR
Found 37 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))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50128396
PNG
(2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128392
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H34N2O3/c32-25-9-6-23(7-10-25)28-14-8-24-20-26(33)11-15-29(24)31(28)21-22-4-12-27(13-5-22)34-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,28,32-33H,1-3,8,14,16-19,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128402
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C27H30N2O3/c30-23-8-3-20(4-9-23)26-13-5-21-19-24(31)10-14-27(21)29(26)22-6-11-25(12-7-22)32-18-17-28-15-1-2-16-28/h3-4,6-12,14,19,26,30-31H,1-2,5,13,15-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128394
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C28H32N2O3/c31-24-8-5-22(6-9-24)27-13-7-23-19-25(32)10-14-28(23)30(27)20-21-3-11-26(12-4-21)33-18-17-29-15-1-2-16-29/h3-6,8-12,14,19,27,31-32H,1-2,7,13,15-18,20H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128400
PNG
(2-Phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,...)
Show SMILES Oc1ccc2N(Cc3ccc(OCCN4CCCCC4)cc3)C(CCc2c1)c1ccccc1
Show InChI InChI=1/C29H34N2O2/c32-26-12-16-29-25(21-26)11-15-28(24-7-3-1-4-8-24)31(29)22-23-9-13-27(14-10-23)33-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,28,32H,2,5-6,11,15,17-20,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128403
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C28H32N2O3/c31-24-9-4-21(5-10-24)27-14-6-22-20-25(32)11-15-28(22)30(27)23-7-12-26(13-8-23)33-19-18-29-16-2-1-3-17-29/h4-5,7-13,15,20,27,31-32H,1-3,6,14,16-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128402
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C27H30N2O3/c30-23-8-3-20(4-9-23)26-13-5-21-19-24(31)10-14-27(21)29(26)22-6-11-25(12-7-22)32-18-17-28-15-1-2-16-28/h3-4,6-12,14,19,26,30-31H,1-2,5,13,15-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128400
PNG
(2-Phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,...)
Show SMILES Oc1ccc2N(Cc3ccc(OCCN4CCCCC4)cc3)C(CCc2c1)c1ccccc1
Show InChI InChI=1/C29H34N2O2/c32-26-12-16-29-25(21-26)11-15-28(24-7-3-1-4-8-24)31(29)22-23-9-13-27(14-10-23)33-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,28,32H,2,5-6,11,15,17-20,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128392
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H34N2O3/c32-25-9-6-23(7-10-25)28-14-8-24-20-26(33)11-15-29(24)31(28)21-22-4-12-27(13-5-22)34-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,28,32-33H,1-3,8,14,16-19,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128394
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C28H32N2O3/c31-24-8-5-22(6-9-24)27-13-7-23-19-25(32)10-14-28(23)30(27)20-21-3-11-26(12-4-21)33-18-17-29-15-1-2-16-29/h3-6,8-12,14,19,27,31-32H,1-2,7,13,15-18,20H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128396
PNG
(2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128403
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C28H32N2O3/c31-24-9-4-21(5-10-24)27-14-6-22-20-25(32)11-15-28(22)30(27)23-7-12-26(13-8-23)33-19-18-29-16-2-1-3-17-29/h4-5,7-13,15,20,27,31-32H,1-3,6,14,16-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128397
PNG
((6-Hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-...)
Show SMILES Oc1ccc2N(C(CCc2c1)c1ccccc1)C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H32N2O3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)31(28)29(33)23-9-13-26(14-10-23)34-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,27,32H,2,5-6,11,15,17-20H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128398
PNG
(2-(4-Hydroxy-phenyl)-quinolin-6-ol | CHEMBL59438)
Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2n1
Show InChI InChI=1S/C15H11NO2/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16-14/h1-9,17-18H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128393
PNG
(CHEMBL59311 | [6-Hydroxy-2-(3-hydroxy-phenyl)-3,4-...)
Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H32N2O4/c32-24-6-4-5-22(19-24)27-13-9-23-20-25(33)10-14-28(23)31(27)29(34)21-7-11-26(12-8-21)35-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,27,32-33H,1-3,9,13,15-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128399
PNG
(2-(4-Hydroxy-phenyl)-1,2,3,4-tetrahydro-quinolin-6...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1
Show InChI InChI=1/C15H15NO2/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16-14/h1-2,4-6,8-9,14,16-18H,3,7H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
65n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128401
PNG
(CHEMBL56166 | [6-Hydroxy-2-(4-hydroxy-phenyl)-3,4-...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H32N2O4/c32-24-9-4-21(5-10-24)27-14-8-23-20-25(33)11-15-28(23)31(27)29(34)22-6-12-26(13-7-22)35-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,27,32-33H,1-3,8,14,16-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
88n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128399
PNG
(2-(4-Hydroxy-phenyl)-1,2,3,4-tetrahydro-quinolin-6...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1
Show InChI InChI=1/C15H15NO2/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16-14/h1-2,4-6,8-9,14,16-18H,3,7H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
170n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128398
PNG
(2-(4-Hydroxy-phenyl)-quinolin-6-ol | CHEMBL59438)
Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2n1
Show InChI InChI=1S/C15H11NO2/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16-14/h1-9,17-18H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
310n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor alpha


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128397
PNG
((6-Hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-...)
Show SMILES Oc1ccc2N(C(CCc2c1)c1ccccc1)C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H32N2O3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)31(28)29(33)23-9-13-26(14-10-23)34-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,27,32H,2,5-6,11,15,17-20H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
380n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128401
PNG
(CHEMBL56166 | [6-Hydroxy-2-(4-hydroxy-phenyl)-3,4-...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H32N2O4/c32-24-9-4-21(5-10-24)27-14-8-23-20-25(33)11-15-28(23)31(27)29(34)22-6-12-26(13-7-22)35-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,27,32-33H,1-3,8,14,16-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50128393
PNG
(CHEMBL59311 | [6-Hydroxy-2-(3-hydroxy-phenyl)-3,4-...)
Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H32N2O4/c32-24-6-4-5-22(19-24)27-13-9-23-20-25(33)10-14-28(23)31(27)29(34)21-7-11-26(12-8-21)35-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,27,32-33H,1-3,9,13,15-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor beta


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50128394
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C28H32N2O3/c31-24-8-5-22(6-9-24)27-13-7-23-19-25(32)10-14-28(23)30(27)20-21-3-11-26(12-4-21)33-18-17-29-15-1-2-16-29/h3-6,8-12,14,19,27,31-32H,1-2,7,13,15-18,20H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128392
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H34N2O3/c32-25-9-6-23(7-10-25)28-14-8-24-20-26(33)11-15-29(24)31(28)21-22-4-12-27(13-5-22)34-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,28,32-33H,1-3,8,14,16-19,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128396
PNG
(2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128400
PNG
(2-Phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,...)
Show SMILES Oc1ccc2N(Cc3ccc(OCCN4CCCCC4)cc3)C(CCc2c1)c1ccccc1
Show InChI InChI=1/C29H34N2O2/c32-26-12-16-29-25(21-26)11-15-28(24-7-3-1-4-8-24)31(29)22-23-9-13-27(14-10-23)33-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,28,32H,2,5-6,11,15,17-20,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128402
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-pyrrolidin-1-yl-ethox...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C27H30N2O3/c30-23-8-3-20(4-9-23)26-13-5-21-19-24(31)10-14-27(21)29(26)22-6-11-25(12-7-22)32-18-17-28-15-1-2-16-28/h3-4,6-12,14,19,26,30-31H,1-2,5,13,15-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128393
PNG
(CHEMBL59311 | [6-Hydroxy-2-(3-hydroxy-phenyl)-3,4-...)
Show SMILES Oc1cccc(c1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H32N2O4/c32-24-6-4-5-22(19-24)27-13-9-23-20-25(33)10-14-28(23)31(27)29(34)21-7-11-26(12-8-21)35-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,27,32-33H,1-3,9,13,15-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128403
PNG
(2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C28H32N2O3/c31-24-9-4-21(5-10-24)27-14-6-22-20-25(32)11-15-28(22)30(27)23-7-12-26(13-8-23)33-19-18-29-16-2-1-3-17-29/h4-5,7-13,15,20,27,31-32H,1-3,6,14,16-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128397
PNG
((6-Hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-...)
Show SMILES Oc1ccc2N(C(CCc2c1)c1ccccc1)C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H32N2O3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)31(28)29(33)23-9-13-26(14-10-23)34-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,27,32H,2,5-6,11,15,17-20H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50128401
PNG
(CHEMBL56166 | [6-Hydroxy-2-(4-hydroxy-phenyl)-3,4-...)
Show SMILES Oc1ccc(cc1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C29H32N2O4/c32-24-9-4-21(5-10-24)27-14-8-23-20-25(33)11-15-28(23)31(27)29(34)22-6-12-26(13-7-22)35-19-18-30-16-2-1-3-17-30/h4-7,9-13,15,20,27,32-33H,1-3,8,14,16-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 990n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%