BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50044077   
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))
BDBM50437049
PNG
(CHEMBL2403355)
Show SMILES CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C19H24O2/c1-5-19(6-2,15-7-9-17(20)13(3)11-15)16-8-10-18(21)14(4)12-16/h7-12,20-21H,5-6H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human Gal4-fused ER-alpha expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase re...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50437046
PNG
(CHEMBL2403356)
Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C21H28O2/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human Gal4-fused ER-alpha expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase re...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50001015
PNG
(CHEMBL2403357)
Show SMILES CCCCC(CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C23H32O2/c1-5-7-13-23(14-8-6-2,19-9-11-21(24)17(3)15-19)20-10-12-22(25)18(4)16-20/h9-12,15-16,24-25H,5-8,13-14H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human Gal4-fused ER-alpha expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase re...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50001003
PNG
(CHEMBL3235686)
Show SMILES CCC[Si](CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C20H28O2Si/c1-5-11-23(12-6-2,17-7-9-19(21)15(3)13-17)18-8-10-20(22)16(4)14-18/h7-10,13-14,21-22H,5-6,11-12H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human Gal4-fused ER-alpha expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase re...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50437050
PNG
(CHEMBL2403349)
Show SMILES CC[Si](CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C18H24O2Si/c1-5-21(6-2,15-7-9-17(19)13(3)11-15)16-8-10-18(20)14(4)12-16/h7-12,19-20H,5-6H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human Gal4-fused ER-alpha expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase re...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50001005
PNG
(CHEMBL3235682)
Show SMILES NS(=O)(=O)Oc1ccc(Sc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C12H12N2O6S3/c13-22(15,16)19-9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)20-23(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells assessed as conversion of [3H]E1S to [3H]E1 and [3H]E2 after 5 hrs by liquid scintillation counti...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50001001
PNG
(CHEMBL3235685)
Show SMILES CC[Si](CC)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C16H20O2Si/c1-3-19(4-2,15-9-5-13(17)6-10-15)16-11-7-14(18)8-12-16/h5-12,17-18H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 115n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human Gal4-fused ER-alpha expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase re...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50001002
PNG
(3,3-Bis(4-Hydroxyphenyl)Pentane | CHEBI:79719 | CH...)
Show SMILES CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 118n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human Gal4-fused ER-alpha expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase re...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50001014
PNG
(CHEMBL3235689)
Show SMILES CC[Si](CC)(c1ccc(OS(N)(=O)=O)c(C)c1)c1ccc(OS(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C18H26N2O6S2Si/c1-5-29(6-2,15-7-9-17(13(3)11-15)25-27(19,21)22)16-8-10-18(14(4)12-16)26-28(20,23)24/h7-12H,5-6H2,1-4H3,(H2,19,21,22)(H2,20,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells assessed as conversion of [3H]E1S to [3H]E1 and [3H]E2 after 5 hrs by liquid scintillation counti...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50001003
PNG
(CHEMBL3235686)
Show SMILES CCC[Si](CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C20H28O2Si/c1-5-11-23(12-6-2,17-7-9-19(21)15(3)13-17)18-8-10-20(22)16(4)14-18/h7-10,13-14,21-22H,5-6,11-12H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 804n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human Gal4-fused ER-beta expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase rep...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50001004
PNG
(CHEMBL3235681)
Show SMILES NS(=O)(=O)Oc1ccc(Cc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C13H14N2O6S2/c14-22(16,17)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-23(15,18)19/h1-8H,9H2,(H2,14,16,17)(H2,15,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells assessed as conversion of [3H]E1S to [3H]E1 and [3H]E2 after 5 hrs by liquid scintillation counti...


Bioorg Med Chem 22: 2244-52 (2014)


Article DOI: 10.1016/j.bmc.2014.02.025
BindingDB Entry DOI: 10.7270/Q2H996QP
More data for this
Ligand-Target Pair