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PubChem AID 733

Compile Data Set for Download or QSAR

Found 390 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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40694
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-[2-...)
Show SMILES O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C25H21N3O6/c29-23(27-9-11-28(12-10-27)24(30)22-8-4-14-33-22)16-34-25(31)18-15-20(21-7-3-13-32-21)26-19-6-2-1-5-17(18)19/h1-8,13-15H,9-12,16H2
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM31764
PNG
(MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...)
Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48309
PNG
(MLS000031738 | N-[4-(2-pyrimidinylsulfamoyl)phenyl...)
Show SMILES O=C(Cc1cccs1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C16H14N4O3S2/c21-15(11-13-3-1-10-24-13)19-12-4-6-14(7-5-12)25(22,23)20-16-17-8-2-9-18-16/h1-10H,11H2,(H,19,21)(H,17,18,20)
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM35401
PNG
(3-hydroxy-2-phenyl-2,3-dihydro-1,5-benzothiazepin-...)
Show SMILES OC1C(Sc2ccccc2NC1=O)c1ccccc1
Show InChI InChI=1S/C15H13NO2S/c17-13-14(10-6-2-1-3-7-10)19-12-9-5-4-8-11(12)16-15(13)18/h1-9,13-14,17H,(H,16,18)
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48349
PNG
(2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)su...)
Show SMILES O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12
Show InChI InChI=1S/C24H17N5OS3/c30-21-13-17(25-23-29(21)18-9-4-5-10-19(18)33-23)15-32-24-27-26-22(20-11-6-12-31-20)28(24)14-16-7-2-1-3-8-16/h1-13H,14-15H2
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM44426
PNG
(MLS000027789 | N-(5-p-anisyl-1,3,4-thiadiazol-2-yl...)
Show SMILES COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
Show InChI InChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-15-18-19-16(23-15)17-14(20)10-13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,19,20)
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48453
PNG
(2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-...)
Show SMILES COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC1CCCCC1
Show InChI InChI=1S/C24H30ClN5O3S2/c1-32-12-6-11-30-21(14-19-15-34-23(27-19)26-18-8-5-7-17(25)13-18)28-29-24(30)35-16-22(31)33-20-9-3-2-4-10-20/h5,7-8,13,15,20H,2-4,6,9-12,14,16H2,1H3,(H,26,27)
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM31698
PNG
(3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...)
Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40950
PNG
(3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-1-oxoethyl]am...)
Show SMILES COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc12
Show InChI InChI=1S/C22H23N3O3/c1-14-9-10-17-16(12-14)20(21(23-17)22(27)28-2)24-19(26)13-25-11-5-7-15-6-3-4-8-18(15)25/h3-4,6,8-10,12,23H,5,7,11,13H2,1-2H3,(H,24,26)
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48334
PNG
(3-(2-furanyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triaz...)
Show SMILES C(c1cccs1)c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C12H8N4OS2/c1-4-9(17-5-1)11-13-14-12-16(11)15-10(19-12)7-8-3-2-6-18-8/h1-6H,7H2
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48360
PNG
(1,3-benzodioxol-5-yl 5,6-dihydro-4H-cyclopenta[b]t...)
Show SMILES O=C(Oc1ccc2OCOc2c1)c1cc2CCCc2s1
Show InChI InChI=1S/C15H12O4S/c16-15(14-6-9-2-1-3-13(9)20-14)19-10-4-5-11-12(7-10)18-8-17-11/h4-7H,1-3,8H2
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40990
PNG
(2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl...)
Show SMILES Cc1cc(C)cc(OCC(=O)Nc2ccc(cc2)N2CCCC2)c1
Show InChI InChI=1S/C20H24N2O2/c1-15-11-16(2)13-19(12-15)24-14-20(23)21-17-5-7-18(8-6-17)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,21,23)
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40603
PNG
(2-(4-chlorophenyl)sulfanyl-1-(furan-2-yl)ethanone ...)
Show SMILES Clc1ccc(SCC(=O)c2ccco2)cc1
Show InChI InChI=1S/C12H9ClO2S/c13-9-3-5-10(6-4-9)16-8-11(14)12-2-1-7-15-12/h1-7H,8H2
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40154
PNG
((5E)-5-[[5-[[(2-anilino-1,2-dioxoethyl)amino]methy...)
Show SMILES CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)[nH]c1=C
Show InChI InChI=1S/C22H21N3O6/c1-3-30-22(29)18-13(2)24-17(19(18)26)11-15-9-10-16(31-15)12-23-20(27)21(28)25-14-7-5-4-6-8-14/h4-11,24,26H,2-3,12H2,1H3,(H,23,27)(H,25,28)
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48508
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(4-me...)
Show SMILES COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
Show InChI InChI=1S/C24H20N2O5/c1-29-17-10-8-16(9-11-17)14-25-23(27)15-31-24(28)19-13-21(22-7-4-12-30-22)26-20-6-3-2-5-18(19)20/h2-13H,14-15H2,1H3,(H,25,27)
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48510
PNG
(2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(furan...)
Show SMILES Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccco3)c2n1
Show InChI InChI=1S/C17H14Cl2N2O3/c1-10-4-5-12-13(18)7-14(19)17(16(12)21-10)24-9-15(22)20-8-11-3-2-6-23-11/h2-7H,8-9H2,1H3,(H,20,22)
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n/an/a 1.56E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48440
PNG
(3-cyclopentylidene-2,4-dihydro-1H-cyclopenta[b]qui...)
Show SMILES Oc1c2CCC(=C3CCCC3)c2nc2ccccc12
Show InChI InChI=1S/C17H17NO/c19-17-13-7-3-4-8-15(13)18-16-12(9-10-14(16)17)11-5-1-2-6-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,18,19)
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n/an/a 1.69E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48460
PNG
(MLS000528514 | N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)...)
Show SMILES O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
Show InChI InChI=1S/C15H13N3OS2/c19-13(10-12-7-4-8-20-12)16-15-18-17-14(21-15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18,19)
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n/an/a 1.70E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM39972
PNG
(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic...)
Show SMILES CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc2CCCc2s1
Show InChI InChI=1S/C18H25NO5S2/c1-12(2)9-19(14-6-7-26(22,23)11-14)17(20)10-24-18(21)16-8-13-4-3-5-15(13)25-16/h8,12,14H,3-7,9-11H2,1-2H3
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n/an/a 1.91E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40101
PNG
(2-(4-methoxyphenyl)-3-oxidanylidene-1H-isoindole-4...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(O)=O)c2C1=O
Show InChI InChI=1S/C16H13NO4/c1-21-12-7-5-11(6-8-12)17-9-10-3-2-4-13(16(19)20)14(10)15(17)18/h2-8H,9H2,1H3,(H,19,20)
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n/an/a 2.15E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40631
PNG
(2-(5,6-dihydro-4H-cyclopent[d]isoxazole-3-carbonyl...)
Show SMILES COC(=O)c1ccccc1NC(=O)c1noc2CCCc12
Show InChI InChI=1S/C15H14N2O4/c1-20-15(19)9-5-2-3-7-11(9)16-14(18)13-10-6-4-8-12(10)21-17-13/h2-3,5,7H,4,6,8H2,1H3,(H,16,18)
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n/an/a 2.18E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40159
PNG
(5-(4-Nitro-pyrazol-1-ylmethyl)-furan-2-carboxylic ...)
Show SMILES CC1CCc2c(C1)sc(NC(=O)c1ccc(Cn3cc(cn3)[N+]([O-])=O)o1)c2C#N
Show InChI InChI=1S/C19H17N5O4S/c1-11-2-4-14-15(7-20)19(29-17(14)6-11)22-18(25)16-5-3-13(28-16)10-23-9-12(8-21-23)24(26)27/h3,5,8-9,11H,2,4,6,10H2,1H3,(H,22,25)
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n/an/a 2.32E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40599
PNG
(6-(4-fluorobenzyl)-2-(2-furfurylidene)thiazolo[3,2...)
Show SMILES Fc1ccc(Cc2nn3c(nc2=O)sc(=Cc2ccco2)c3=O)cc1
Show InChI InChI=1S/C17H10FN3O3S/c18-11-5-3-10(4-6-11)8-13-15(22)19-17-21(20-13)16(23)14(25-17)9-12-2-1-7-24-12/h1-7,9H,8H2
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n/an/a 2.35E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM39936
PNG
((3aR,6aS)-3-(2-chlorophenyl)-5-(2,5-dimethoxypheny...)
Show SMILES COc1ccc(OC)c(c1)-n1c(O)c2o[nH]c(-c3ccccc3Cl)c2c1=O
Show InChI InChI=1S/C19H15ClN2O5/c1-25-10-7-8-14(26-2)13(9-10)22-18(23)15-16(21-27-17(15)19(22)24)11-5-3-4-6-12(11)20/h3-9,21,24H,1-2H3
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n/an/a 2.49E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48462
PNG
(2-(2-furanyl)-N-hexyl-4-quinolinecarboxamide | 2-(...)
Show SMILES CCCCCCNC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C20H22N2O2/c1-2-3-4-7-12-21-20(23)16-14-18(19-11-8-13-24-19)22-17-10-6-5-9-15(16)17/h5-6,8-11,13-14H,2-4,7,12H2,1H3,(H,21,23)
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n/an/a 2.60E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40315
PNG
(MLS000526075 | N-[4-[6-(2-thenoylamino)-1H-benzimi...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1)c1cccs1
Show InChI InChI=1S/C23H16N4O2S2/c28-22(19-3-1-11-30-19)24-15-7-5-14(6-8-15)21-26-17-10-9-16(13-18(17)27-21)25-23(29)20-4-2-12-31-20/h1-13H,(H,24,28)(H,25,29)(H,26,27)
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n/an/a 2.61E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40238
PNG
(2-(4-acetylanilino)-1-(4-phenyl-1-piperazinyl)etha...)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C20H23N3O2/c1-16(24)17-7-9-18(10-8-17)21-15-20(25)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10,21H,11-15H2,1H3
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n/an/a 2.64E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48469
PNG
((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Show SMILES CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N
Show InChI InChI=1S/C18H16N4O3S2/c1-2-4-14-21-22-16(19)13(17(23)20-18(22)27-14)9-11-6-7-15(25-11)26-10-12-5-3-8-24-12/h3,5-9,19H,2,4,10H2,1H3/b13-9+,19-16?
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n/an/a 2.65E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48405
PNG
(MLS000063217 | N-(4-piperidin-1-ylsulfonylphenyl)-...)
Show SMILES O=C(Cc1cccs1)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20N2O3S2/c20-17(13-15-5-4-12-23-15)18-14-6-8-16(9-7-14)24(21,22)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11,13H2,(H,18,20)
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n/an/a 2.71E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40264
PNG
(4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid...)
Show SMILES Cc1noc(C)c1COc1ccc(cc1)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C
Show InChI InChI=1S/C25H25N3O6/c1-15-19(16(2)34-27-15)13-32-18-11-9-17(10-12-18)23(30)33-14-22(29)28-21-8-6-5-7-20(21)26-24(31)25(28,3)4/h5-12H,13-14H2,1-4H3,(H,26,31)
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n/an/a 2.72E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40062
PNG
(6-bromo-2-{[4-(2-furoyl)-1-piperazinyl]carbonyl}py...)
Show SMILES Brc1cnc2cc(nn2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C16H14BrN5O3/c17-11-9-18-14-8-12(19-22(14)10-11)15(23)20-3-5-21(6-4-20)16(24)13-2-1-7-25-13/h1-2,7-10H,3-6H2
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n/an/a 2.73E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48441
PNG
(MLS000111945 | N-[4-[1-(diacetylamino)-2-benzimida...)
Show SMILES CC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(C)=O)C(C)=O
Show InChI InChI=1S/C15H14N6O4/c1-8(22)16-14-13(18-25-19-14)15-17-11-6-4-5-7-12(11)21(15)20(9(2)23)10(3)24/h4-7H,1-3H3,(H,16,19,22)
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n/an/a 2.75E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48313
PNG
(MLS000068374 | N-[4-[2-(2-keto-2-morpholino-ethyl)...)
Show SMILES O=C(Cc1cccs1)Nc1ccc(cc1)-c1nnn(CC(=O)N2CCOCC2)n1
Show InChI InChI=1S/C19H20N6O3S/c26-17(12-16-2-1-11-29-16)20-15-5-3-14(4-6-15)19-21-23-25(22-19)13-18(27)24-7-9-28-10-8-24/h1-6,11H,7-10,12-13H2,(H,20,26)
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n/an/a 2.92E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40004
PNG
((4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2...)
Show SMILES O=C(Cc1coc2cc3CCCc3cc12)OCc1cc(=O)n2c(n1)sc1ccccc21
Show InChI InChI=1S/C24H18N2O4S/c27-22-11-17(25-24-26(22)19-6-1-2-7-21(19)31-24)13-30-23(28)10-16-12-29-20-9-15-5-3-4-14(15)8-18(16)20/h1-2,6-9,11-12H,3-5,10,13H2
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n/an/a 3.05E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40111
PNG
(MLS000111310 | N-[4-[(4-methyl-2-pyrimidinyl)sulfa...)
Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
Show InChI InChI=1S/C17H16N4O3S2/c1-12-8-9-18-17(19-12)21-26(23,24)15-6-4-13(5-7-15)20-16(22)11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H,20,22)(H,18,19,21)
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n/an/a 3.09E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40838
PNG
(7-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(pyridin-2-yl...)
Show SMILES COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
Show InChI InChI=1S/C24H23N3O4/c1-14-7-8-15-9-10-17(23(28)22(15)26-14)21(27-20-6-4-5-11-25-20)16-12-18(30-2)24(29)19(13-16)31-3/h4-13,21,28-29H,1-3H3,(H,25,27)
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n/an/a 3.13E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48424
PNG
(MLS000111651 | N-(4-hydroxyphenyl)-1-cyclohex-3-en...)
Show SMILES Oc1ccc(NC(=O)C2CCC=CC2)cc1
Show InChI InChI=1S/C13H15NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h1-2,6-10,15H,3-5H2,(H,14,16)
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n/an/a 3.20E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48365
PNG
(2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-tria...)
Show SMILES Fc1ccccc1OCc1nnc(SCC(=O)NC(=O)NCc2ccco2)n1CC=C
Show InChI InChI=1S/C20H20FN5O4S/c1-2-9-26-17(12-30-16-8-4-3-7-15(16)21)24-25-20(26)31-13-18(27)23-19(28)22-11-14-6-5-10-29-14/h2-8,10H,1,9,11-13H2,(H2,22,23,27,28)
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n/an/a 3.27E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40014
PNG
(MLS000043380 | N-(2-furanylmethyl)-2-(5-methyl-2-f...)
Show SMILES Cc1ccc(o1)-c1cc(C(=O)NCc2ccco2)c2ccccc2n1
Show InChI InChI=1S/C20H16N2O3/c1-13-8-9-19(25-13)18-11-16(15-6-2-3-7-17(15)22-18)20(23)21-12-14-5-4-10-24-14/h2-11H,12H2,1H3,(H,21,23)
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n/an/a 3.37E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM37775
PNG
(MLS000097330 | N-[5-(8-methoxy-4,4,6-trimethyl-2-o...)
Show SMILES COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O
Show InChI InChI=1S/C20H19N3O4S/c1-9-8-20(3,4)23-15-12(9)6-11(27-5)7-13(15)14(18(23)26)16-17(25)22-19(28-16)21-10(2)24/h6-8H,1-5H3,(H,21,22,24,25)/b16-14-
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n/an/a 3.37E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48306
PNG
((6Z)-6-[3-(2-morpholin-4-ylethylsulfanyl)-4-(pheny...)
Show SMILES Oc1ccccc1-c1nnc(SCCN2CCOCC2)n1Cc1ccccc1
Show InChI InChI=1S/C21H24N4O2S/c26-19-9-5-4-8-18(19)20-22-23-21(25(20)16-17-6-2-1-3-7-17)28-15-12-24-10-13-27-14-11-24/h1-9,26H,10-16H2
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n/an/a 3.51E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM30891
PNG
(MLS000049147 | N-(2-furanylmethyl)-7-hydroxy-2-oxo...)
Show SMILES Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
Show InChI InChI=1S/C15H11NO5/c17-10-4-3-9-6-12(15(19)21-13(9)7-10)14(18)16-8-11-2-1-5-20-11/h1-7,17H,8H2,(H,16,18)
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n/an/a 3.57E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48404
PNG
(2-(1-keto-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4...)
Show SMILES CCOC(=O)Cn1cnc2sc3CCCc3c2c1=O
Show InChI InChI=1S/C13H14N2O3S/c1-2-18-10(16)6-15-7-14-12-11(13(15)17)8-4-3-5-9(8)19-12/h7H,2-6H2,1H3
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n/an/a 3.62E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40630
PNG
(MLS000087341 | N-(2-methylsulfanylphenyl)-5,6-dihy...)
Show SMILES CSc1ccccc1NC(=O)c1noc2CCCc12
Show InChI InChI=1S/C14H14N2O2S/c1-19-12-8-3-2-6-10(12)15-14(17)13-9-5-4-7-11(9)18-16-13/h2-3,6,8H,4-5,7H2,1H3,(H,15,17)
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n/an/a 3.77E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40691
PNG
(2-(2-furanyl)-N-[2-(4-morpholinyl)phenyl]-4-quinol...)
Show SMILES O=C(Nc1ccccc1N1CCOCC1)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H21N3O3/c28-24(26-20-8-3-4-9-22(20)27-11-14-29-15-12-27)18-16-21(23-10-5-13-30-23)25-19-7-2-1-6-17(18)19/h1-10,13,16H,11-12,14-15H2,(H,26,28)
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n/an/a 3.78E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40076
PNG
(2-[(2-keto-1H-benzo[cd]indol-6-yl)sulfonyl-methyl-...)
Show SMILES CN(c1ccccc1C(O)=O)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Show InChI InChI=1S/C19H14N2O5S/c1-21(15-8-3-2-5-11(15)19(23)24)27(25,26)16-10-9-14-17-12(16)6-4-7-13(17)18(22)20-14/h2-10H,1H3,(H,20,22)(H,23,24)
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n/an/a 3.85E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40693
PNG
(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pheny...)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1cc2CCCc2s1
Show InChI InChI=1S/C18H20N2OS/c21-18(17-13-14-5-4-8-16(14)22-17)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-3,6-7,13H,4-5,8-12H2
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n/an/a 3.87E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM35377
PNG
(MLS000081820 | N-[4-(4-methylphenyl)-1,3-thiazol-2...)
Show SMILES Cc1ccc(cc1)-c1csc(NC(=O)c2ccno2)n1
Show InChI InChI=1S/C14H11N3O2S/c1-9-2-4-10(5-3-9)11-8-20-14(16-11)17-13(18)12-6-7-15-19-12/h2-8H,1H3,(H,16,17,18)
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n/an/a 3.87E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM32273
PNG
(2,8-dimethyl-5,6-dihydrodipyrrolo[1,2-b:1',2'-e]py...)
Show SMILES Cc1cc2-c3ccc(C)n3CCn2c1
Show InChI InChI=1S/C12H14N2/c1-9-7-12-11-4-3-10(2)14(11)6-5-13(12)8-9/h3-4,7-8H,5-6H2,1-2H3
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n/an/a 3.91E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48355
PNG
(4-[(3-tert-butyl-4-keto-[1,3,4]thiadiazolo[2,3-c][...)
Show SMILES CC(C)(C)c1nnc2sc(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nn2c1=O
Show InChI InChI=1S/C19H17N7O2S2/c1-19(2,3)14-16(28)26-17(24-23-14)30-18(25-26)29-9-13(27)10(8-20)15-21-11-6-4-5-7-12(11)22-15/h4-7,10H,9H2,1-3H3,(H,21,22)
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n/an/a 4.00E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%