BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50040151   
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))		BDBM50389952
PNG
(CHEMBL2071180)
Show SMILES Oc1ccc(cc1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H16O3/c21-18-13-11-17(12-14-18)20(22)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-galac...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389960
PNG
(CHEMBL1441930)
Show SMILES Cc1ccccc1S(=O)(=O)Oc1cccc2c(O)cccc12
Show InChI InChI=1S/C17H14O4S/c1-12-6-2-3-11-17(12)22(19,20)21-16-10-5-7-13-14(16)8-4-9-15(13)18/h2-11,18H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 255n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389952
PNG
(CHEMBL2071180)
Show SMILES Oc1ccc(cc1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H16O3/c21-18-13-11-17(12-14-18)20(22)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM77806
PNG
(4-[(1,3-dicyclohexyl-2,4,6-triketo-hexahydropyrimi...)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6]-2=O)cc1
Show InChI InChI=1S/C23H30N4O5S/c24-33(31,32)19-13-11-16(12-14-19)25-15-20-21(28)26(17-7-3-1-4-8-17)23(30)27(22(20)29)18-9-5-2-6-10-18/h11-15,17-18,25H,1-10H2,(H2,24,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389950
PNG
(CHEMBL1702774)
Show SMILES Oc1cccc2c(OC(=O)c3ccccc3Cl)cccc12
Show InChI InChI=1S/C17H11ClO3/c18-14-8-2-1-5-13(14)17(20)21-16-10-4-6-11-12(16)7-3-9-15(11)19/h1-10,19H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 629n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389952
PNG
(CHEMBL2071180)
Show SMILES Oc1ccc(cc1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H16O3/c21-18-13-11-17(12-14-18)20(22)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Transcriptional repression of ERbeta receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389959
PNG
(CHEMBL1348802)
Show SMILES Oc1ccc2ccc(OC(=O)c3ccccc3Cl)cc2c1
Show InChI InChI=1S/C17H11ClO3/c18-16-4-2-1-3-15(16)17(20)21-14-8-6-11-5-7-13(19)9-12(11)10-14/h1-10,19H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

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



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389949
PNG
(CHEMBL2071181)
Show SMILES CCOc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1
Show InChI InChI=1S/C19H16O4/c1-2-22-18-6-4-3-5-17(18)19(21)23-16-10-8-13-7-9-15(20)11-14(13)12-16/h3-12,20H,2H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.31E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-galac...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-galac...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389953
PNG
(CHEMBL2071182)
Show SMILES Oc1cccc2c(OC(=O)c3ccc(Br)cc3)cccc12
Show InChI InChI=1S/C17H11BrO3/c18-12-9-7-11(8-10-12)17(20)21-16-6-2-3-13-14(16)4-1-5-15(13)19/h1-10,19H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.89E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389958
PNG
(CHEMBL2071171)
Show SMILES Oc1cccc2c(OC(=O)C3CCCCC3)cccc12
Show InChI InChI=1S/C17H18O3/c18-15-10-4-9-14-13(15)8-5-11-16(14)20-17(19)12-6-2-1-3-7-12/h4-5,8-12,18H,1-3,6-7H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.98E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM47396
PNG
((5-hydroxynaphthalen-1-yl) benzoate | (5-oxidanyln...)
Show SMILES Oc1cccc2c(OC(=O)c3ccccc3)cccc12
Show InChI InChI=1S/C17H12O3/c18-15-10-4-9-14-13(15)8-5-11-16(14)20-17(19)12-6-2-1-3-7-12/h1-11,18H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.23E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM77800
PNG
(MLS000768224 | N-(6-Methoxy-benzothiazol-2-yl)-2-m...)
Show SMILES CCC(C)C(=O)Nc1nc2ccc(OC)cc2s1
Show InChI InChI=1S/C13H16N2O2S/c1-4-8(2)12(16)15-13-14-10-6-5-9(17-3)7-11(10)18-13/h5-8H,4H2,1-3H3,(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.29E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.54E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389952
PNG
(CHEMBL2071180)
Show SMILES Oc1ccc(cc1)C(=O)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H16O3/c21-18-13-11-17(12-14-18)20(22)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.55E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Transcriptional repression of ERalpha receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM77800
PNG
(MLS000768224 | N-(6-Methoxy-benzothiazol-2-yl)-2-m...)
Show SMILES CCC(C)C(=O)Nc1nc2ccc(OC)cc2s1
Show InChI InChI=1S/C13H16N2O2S/c1-4-8(2)12(16)15-13-14-10-6-5-9(17-3)7-11(10)18-13/h5-8H,4H2,1-3H3,(H,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.82E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-galac...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389957
PNG
(CHEMBL1405254)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cccc2c(O)cccc12
Show InChI InChI=1S/C17H14O4S/c1-12-8-10-13(11-9-12)22(19,20)21-17-7-3-4-14-15(17)5-2-6-16(14)18/h2-11,18H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389955
PNG
(CHEMBL2071173)
Show SMILES Oc1ccc2ccc(OC(=O)c3ccccc3F)cc2c1
Show InChI InChI=1S/C17H11FO3/c18-16-4-2-1-3-15(16)17(20)21-14-8-6-11-5-7-13(19)9-12(11)10-14/h1-10,19H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.06E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389948
PNG
(CHEMBL2071183)
Show SMILES Oc1cccc2c(OC(=O)\C=C\c3ccccc3)cccc12
Show InChI InChI=1S/C19H14O3/c20-17-10-4-9-16-15(17)8-5-11-18(16)22-19(21)13-12-14-6-2-1-3-7-14/h1-13,20H/b13-12+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.15E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389949
PNG
(CHEMBL2071181)
Show SMILES CCOc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1
Show InChI InChI=1S/C19H16O4/c1-2-22-18-6-4-3-5-17(18)19(21)23-16-10-8-13-7-9-15(20)11-14(13)12-16/h3-12,20H,2H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.29E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389947
PNG
(CHEMBL1561191)
Show SMILES COc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1
Show InChI InChI=1S/C18H14O4/c1-21-17-5-3-2-4-16(17)18(20)22-15-9-7-12-6-8-14(19)10-13(12)11-15/h2-11,19H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.32E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389953
PNG
(CHEMBL2071182)
Show SMILES Oc1cccc2c(OC(=O)c3ccc(Br)cc3)cccc12
Show InChI InChI=1S/C17H11BrO3/c18-12-9-7-11(8-10-12)17(20)21-16-6-2-3-13-14(16)4-1-5-15(13)19/h1-10,19H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.35E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-galac...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389961
PNG
(CHEMBL1307538)
Show SMILES Cc1ccccc1S(=O)(=O)Oc1ccc2ccc(O)cc2c1
Show InChI InChI=1S/C17H14O4S/c1-12-4-2-3-5-17(12)22(19,20)21-16-9-7-13-6-8-15(18)10-14(13)11-16/h2-11,18H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.77E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389948
PNG
(CHEMBL2071183)
Show SMILES Oc1cccc2c(OC(=O)\C=C\c3ccccc3)cccc12
Show InChI InChI=1S/C19H14O3/c20-17-10-4-9-16-15(17)8-5-11-18(16)22-19(21)13-12-14-6-2-1-3-7-14/h1-13,20H/b13-12+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.94E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-galac...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389956
PNG
(CHEMBL2071172)
Show SMILES COc1ccccc1C(=O)Oc1cccc2c(O)cccc12
Show InChI InChI=1S/C18H14O4/c1-21-16-10-3-2-6-14(16)18(20)22-17-11-5-7-12-13(17)8-4-9-15(12)19/h2-11,19H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389946
PNG
(CHEMBL1466543)
Show SMILES Cc1cccc(c1)C(=O)Oc1ccc2ccc(O)cc2c1
Show InChI InChI=1S/C18H14O3/c1-12-3-2-4-14(9-12)18(20)21-17-8-6-13-5-7-16(19)10-15(13)11-17/h2-11,19H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.81E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389954
PNG
(CHEMBL2071174)
Show SMILES COc1cccc(c1)C(=O)Oc1cccc(O)c1
Show InChI InChI=1S/C14H12O4/c1-17-12-6-2-4-10(8-12)14(16)18-13-7-3-5-11(15)9-13/h2-9,15H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.82E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-gala...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389947
PNG
(CHEMBL1561191)
Show SMILES COc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1
Show InChI InChI=1S/C18H14O4/c1-21-17-5-3-2-4-16(17)18(20)22-15-9-7-12-6-8-14(19)10-13(12)11-15/h2-11,19H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-galac...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389946
PNG
(CHEMBL1466543)
Show SMILES Cc1cccc(c1)C(=O)Oc1ccc2ccc(O)cc2c1
Show InChI InChI=1S/C18H14O3/c1-12-3-2-4-14(9-12)18(20)21-17-8-6-13-5-7-16(19)10-15(13)11-17/h2-11,19H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-galac...

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389955
PNG
(CHEMBL2071173)
Show SMILES Oc1ccc2ccc(OC(=O)c3ccccc3F)cc2c1
Show InChI InChI=1S/C17H11FO3/c18-16-4-2-1-3-15(16)17(20)21-14-8-6-11-5-7-13(19)9-12(11)10-14/h1-10,19H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.95E+3n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389954
PNG
(CHEMBL2071174)
Show SMILES COc1cccc(c1)C(=O)Oc1cccc(O)c1
Show InChI InChI=1S/C14H12O4/c1-17-12-6-2-4-10(8-12)14(16)18-13-7-3-5-11(15)9-13/h2-9,15H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.34E+4n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/an/an/a 0.0500n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Transcriptional activation of ERalpha receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM77806
PNG
(4-[(1,3-dicyclohexyl-2,4,6-triketo-hexahydropyrimi...)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6]-2=O)cc1
Show InChI InChI=1S/C23H30N4O5S/c24-33(31,32)19-13-11-16(12-14-19)25-15-20-21(28)26(17-7-3-1-4-8-17)23(30)27(22(20)29)18-9-5-2-6-10-18/h11-15,17-18,25H,1-10H2,(H2,24,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 4.87E+3n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Transcriptional activation of ERbeta receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389950
PNG
(CHEMBL1702774)
Show SMILES Oc1cccc2c(OC(=O)c3ccccc3Cl)cccc12
Show InChI InChI=1S/C17H11ClO3/c18-14-8-2-1-5-13(14)17(20)21-16-10-4-6-11-12(16)7-3-9-15(11)19/h1-10,19H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 3.55E+3n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Transcriptional activation of ERbeta receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389951
PNG
(CHEMBL2071176)
Show SMILES Oc1ccc(cc1O)C(=O)OCC(=O)c1ccccc1
Show InChI InChI=1S/C15H12O5/c16-12-7-6-11(8-13(12)17)15(19)20-9-14(18)10-4-2-1-3-5-10/h1-8,16-17H,9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 3.18E+3n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Transcriptional activation of ERbeta receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/an/an/a 0.0360n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Transcriptional activation of ERbeta receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389965
PNG
(CHEMBL2071175)
Show SMILES Oc1ccc(cc1)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 123n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389951
PNG
(CHEMBL2071176)
Show SMILES Oc1ccc(cc1O)C(=O)OCC(=O)c1ccccc1
Show InChI InChI=1S/C15H12O5/c16-12-7-6-11(8-13(12)17)15(19)20-9-14(18)10-4-2-1-3-5-10/h1-8,16-17H,9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.93E+3n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389964
PNG
(CHEMBL2071177)
Show SMILES Oc1cccc(OC(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C13H9FO3/c14-10-4-1-3-9(7-10)13(16)17-12-6-2-5-11(15)8-12/h1-8,15H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.59E+3n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389963
PNG
(CHEMBL2071178)
Show SMILES OC(=O)c1ccc(O)cc1OC(=O)c1ccccc1
Show InChI InChI=1S/C14H10O5/c15-10-6-7-11(13(16)17)12(8-10)19-14(18)9-4-2-1-3-5-9/h1-8,15H,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.90E+4n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389962
PNG
(CHEMBL2071179)
Show SMILES COc1ccc(cc1)C(=O)COC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H14O5/c1-20-14-8-4-11(5-9-14)15(18)10-21-16(19)12-2-6-13(17)7-3-12/h2-9,17H,10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.89E+4n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/an/an/a 1.08n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50389956
PNG
(CHEMBL2071172)
Show SMILES COc1ccccc1C(=O)Oc1cccc2c(O)cccc12
Show InChI InChI=1S/C18H14O4/c1-21-16-10-3-2-6-14(16)18(20)22-17-11-5-7-12-13(17)8-4-9-15(12)19/h2-11,19H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.98E+3n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389965
PNG
(CHEMBL2071175)
Show SMILES Oc1ccc(cc1)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 870n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389951
PNG
(CHEMBL2071176)
Show SMILES Oc1ccc(cc1O)C(=O)OCC(=O)c1ccccc1
Show InChI InChI=1S/C15H12O5/c16-12-7-6-11(8-13(12)17)15(19)20-9-14(18)10-4-2-1-3-5-10/h1-8,16-17H,9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 5.95E+3n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389964
PNG
(CHEMBL2071177)
Show SMILES Oc1cccc(OC(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C13H9FO3/c14-10-4-1-3-9(7-10)13(16)17-12-6-2-5-11(15)8-12/h1-8,15H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.11E+4n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389963
PNG
(CHEMBL2071178)
Show SMILES OC(=O)c1ccc(O)cc1OC(=O)c1ccccc1
Show InChI InChI=1S/C14H10O5/c15-10-6-7-11(13(16)17)12(8-10)19-14(18)9-4-2-1-3-5-9/h1-8,15H,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 7.12E+4n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50389962
PNG
(CHEMBL2071179)
Show SMILES COc1ccc(cc1)C(=O)COC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H14O5/c1-20-14-8-4-11(5-9-14)15(18)10-21-16(19)12-2-6-13(17)7-3-12/h2-9,17H,10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/an/an/a 1.05n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM77806
PNG
(4-[(1,3-dicyclohexyl-2,4,6-triketo-hexahydropyrimi...)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6]-2=O)cc1
Show InChI InChI=1S/C23H30N4O5S/c24-33(31,32)19-13-11-16(12-14-19)25-15-20-21(28)26(17-7-3-1-4-8-17)23(30)27(22(20)29)18-9-5-2-6-10-18/h11-15,17-18,25H,1-10H2,(H2,24,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.69E+3n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay

Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 57 total )  |  Next  |  Last  >>
Jump to: