BindingDB logo
myBDB logout

PubChem AID 1079

Compile data set for download or QSAR
Found 21 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))
BDBM42012
PNG
(3-[6-keto-6-[4-(4-pyridyl)piperazino]hexyl]-2-thio...)
Show SMILES O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C23H27N5O2S/c29-21(27-16-14-26(15-17-27)18-9-11-24-12-10-18)8-2-1-5-13-28-22(30)19-6-3-4-7-20(19)25-23(28)31/h3-4,6-7,9-12H,1-2,5,8,13-17H2,(H,25,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 30n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42013
PNG
(3-[4-keto-4-(4-phenylpiperidino)butyl]-2-thioxo-1H...)
Show SMILES O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H25N3O2S/c27-21(25-15-12-18(13-16-25)17-7-2-1-3-8-17)11-6-14-26-22(28)19-9-4-5-10-20(19)24-23(26)29/h1-5,7-10,18H,6,11-16H2,(H,24,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 50n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42009
PNG
(3-[4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxidanyli...)
Show SMILES O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N4O2S/c31-24(13-6-14-30-25(32)21-10-3-4-11-22(21)27-26(30)33)29-17-15-28(16-18-29)23-12-5-8-19-7-1-2-9-20(19)23/h1-5,7-12H,6,13-18H2,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 70n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42010
PNG
(3-[4-[4-(2-hydroxyphenyl)-1-piperazinyl]-4-oxobuty...)
Show SMILES Oc1ccccc1N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C22H24N4O3S/c27-19-9-4-3-8-18(19)24-12-14-25(15-13-24)20(28)10-5-11-26-21(29)16-6-1-2-7-17(16)23-22(26)30/h1-4,6-9,27H,5,10-15H2,(H,23,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 70n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42018
PNG
(3-[6-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-...)
Show SMILES OC1(CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN3O3S/c26-19-11-9-18(10-12-19)25(32)13-16-28(17-14-25)22(30)8-2-1-5-15-29-23(31)20-6-3-4-7-21(20)27-24(29)33/h3-4,6-7,9-12,32H,1-2,5,8,13-17H2,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 80n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42020
PNG
((2R)-5-[4-(4-cyanophenyl)-1-piperazinyl]-5-oxo-2-(...)
Show SMILES CC(C)(C)OC(=O)[C@@H](CCC(=O)N1CCN(CC1)c1ccc(cc1)C#N)n1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C28H31N5O4S/c1-28(2,3)37-26(36)23(33-25(35)21-6-4-5-7-22(21)30-27(33)38)12-13-24(34)32-16-14-31(15-17-32)20-10-8-19(18-29)9-11-20/h4-11,23H,12-17H2,1-3H3,(H,30,38)/t23-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 80n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42021
PNG
(3-[4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin...)
Show SMILES O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H27N5O2S/c26-18-19-7-6-8-20(17-19)28-13-15-29(16-14-28)23(31)11-2-1-5-12-30-24(32)21-9-3-4-10-22(21)27-25(30)33/h3-4,6-10,17H,1-2,5,11-16H2,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 90n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42019
PNG
(2-[4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin...)
Show SMILES O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C25H27N5O2S/c26-18-19-8-3-6-11-22(19)28-14-16-29(17-15-28)23(31)12-2-1-7-13-30-24(32)20-9-4-5-10-21(20)27-25(30)33/h3-6,8-11H,1-2,7,12-17H2,(H,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 90n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42015
PNG
(3-[6-[4-(N-benzylanilino)piperidin-1-yl]-6-oxohexy...)
Show SMILES O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H36N4O2S/c37-30(18-8-3-11-21-35-31(38)28-16-9-10-17-29(28)33-32(35)39)34-22-19-27(20-23-34)36(26-14-6-2-7-15-26)24-25-12-4-1-5-13-25/h1-2,4-7,9-10,12-17,27H,3,8,11,18-24H2,(H,33,39)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 120n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42016
PNG
(3-[6-keto-6-[4-(2-pyrimidyl)piperazino]hexyl]-2-th...)
Show SMILES O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H26N6O2S/c29-19(26-13-15-27(16-14-26)21-23-10-6-11-24-21)9-2-1-5-12-28-20(30)17-7-3-4-8-18(17)25-22(28)31/h3-4,6-8,10-11H,1-2,5,9,12-16H2,(H,25,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 120n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40196
PNG
(3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl...)
Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C22H23ClN4O2S/c23-16-5-3-6-17(15-16)25-11-13-26(14-12-25)20(28)9-4-10-27-21(29)18-7-1-2-8-19(18)24-22(27)30/h1-3,5-8,15H,4,9-14H2,(H,24,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 120n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42008
PNG
(3-[4-[4-(1-naphthalenylmethyl)-1-piperazinyl]-4-ox...)
Show SMILES O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C27H28N4O2S/c32-25(13-6-14-31-26(33)23-11-3-4-12-24(23)28-27(31)34)30-17-15-29(16-18-30)19-21-9-5-8-20-7-1-2-10-22(20)21/h1-5,7-12H,6,13-19H2,(H,28,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 170n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42014
PNG
(3-[6-(4-anilino-1-piperidinyl)-6-oxohexyl]-2-sulfa...)
Show SMILES O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)Nc1ccccc1
Show InChI InChI=1S/C25H30N4O2S/c30-23(28-17-14-20(15-18-28)26-19-9-3-1-4-10-19)13-5-2-8-16-29-24(31)21-11-6-7-12-22(21)27-25(29)32/h1,3-4,6-7,9-12,20,26H,2,5,8,13-18H2,(H,27,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 180n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42004
PNG
(3-[6-[4-(3-chlorophenyl)-1-piperazinyl]-6-oxohexyl...)
Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C24H27ClN4O2S/c25-18-7-6-8-19(17-18)27-13-15-28(16-14-27)22(30)11-2-1-5-12-29-23(31)20-9-3-4-10-21(20)26-24(29)32/h3-4,6-10,17H,1-2,5,11-16H2,(H,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 350n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42017
PNG
(3-[6-[4-(3-nitrophenyl)-1-piperazinyl]-6-oxohexyl]...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C24H27N5O4S/c30-22(27-15-13-26(14-16-27)18-7-6-8-19(17-18)29(32)33)11-2-1-5-12-28-23(31)20-9-3-4-10-21(20)25-24(28)34/h3-4,6-10,17H,1-2,5,11-16H2,(H,25,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 840n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42011
PNG
(3-[4-[4-(3-hydroxyphenyl)-1-piperazinyl]-4-oxobuty...)
Show SMILES Oc1cccc(c1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C22H24N4O3S/c27-17-6-3-5-16(15-17)24-11-13-25(14-12-24)20(28)9-4-10-26-21(29)18-7-1-2-8-19(18)23-22(26)30/h1-3,5-8,15,27H,4,9-14H2,(H,23,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.62E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42007
PNG
(3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl...)
Show SMILES COc1cc2[nH]c(=S)n(CCCC(=O)N3CCN(CC3)c3cccc(Cl)c3)c(=O)c2cc1OC
Show InChI InChI=1S/C24H27ClN4O4S/c1-32-20-14-18-19(15-21(20)33-2)26-24(34)29(23(18)31)8-4-7-22(30)28-11-9-27(10-12-28)17-6-3-5-16(25)13-17/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,26,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.36E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42006
PNG
(3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl...)
Show SMILES COC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCC(=O)N1CCN(CC1)c1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C24H25ClN4O4S/c1-33-23(32)16-7-8-19-20(14-16)26-24(34)29(22(19)31)9-3-6-21(30)28-12-10-27(11-13-28)18-5-2-4-17(25)15-18/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3,(H,26,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.88E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42003
PNG
(3-[4-[4-(4-chlorophenyl)-1-piperazinyl]-4-oxobutyl...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C22H23ClN4O2S/c23-16-7-9-17(10-8-16)25-12-14-26(15-13-25)20(28)6-3-11-27-21(29)18-4-1-2-5-19(18)24-22(27)30/h1-2,4-5,7-10H,3,6,11-15H2,(H,24,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.98E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42005
PNG
(3-[6-keto-6-[4-[4-(trifluoromethyl)phenyl]piperazi...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C25H27F3N4O2S/c26-25(27,28)18-9-11-19(12-10-18)30-14-16-31(17-15-30)22(33)8-2-1-5-13-32-23(34)20-6-3-4-7-21(20)29-24(32)35/h3-4,6-7,9-12H,1-2,5,8,13-17H2,(H,29,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.28E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM42002
PNG
(3-[4-[4-(4-methoxyphenyl)-1-piperazinyl]-4-oxobuty...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C23H26N4O3S/c1-30-18-10-8-17(9-11-18)25-13-15-26(16-14-25)21(28)7-4-12-27-22(29)19-5-2-3-6-20(19)24-23(27)31/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,24,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%