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PubChem AID 737

Compile data set for download or QSAR
Found 96 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))		BDBM40480
PNG
(2-[3-[3-(3-imidazol-1-ylpropyl)-4-keto-quinazolin-...)
Show SMILES O=C1N(CCCc2nc3ccccc3c(=O)n2CCCn2ccnc2)C(=O)c2ccccc12
Show InChI InChI=1S/C25H23N5O3/c31-23-18-7-1-2-8-19(18)24(32)30(23)14-5-11-22-27-21-10-4-3-9-20(21)25(33)29(22)15-6-13-28-16-12-26-17-28/h1-4,7-10,12,16-17H,5-6,11,13-15H2
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n/an/an/an/a 2.35E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40491
PNG
(DIENESTROL | MLS000069528 | SMR000058597 | cid_667...)
Show SMILES C\C=C(\C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1
Show InChI InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
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n/an/an/an/a 1.32E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40496
PNG
(3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-th...)
Show SMILES COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2cccs2)c(OC)n1
Show InChI InChI=1S/C19H15N3O3S/c1-23-13-7-5-12(6-8-13)15-10-9-14(18(20-15)24-2)17-21-19(25-22-17)16-4-3-11-26-16/h3-11H,1-2H3
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n/an/an/an/a 1.29E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40517
PNG
(4-methyl-N-[2-(2-methyl-1-indolyl)ethyl]benzenesul...)
Show SMILES Cc1cc2ccccc2n1CCNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H20N2O2S/c1-14-7-9-17(10-8-14)23(21,22)19-11-12-20-15(2)13-16-5-3-4-6-18(16)20/h3-10,13,19H,11-12H2,1-2H3
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n/an/an/an/a 2.87E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40525
PNG
(MLS000050981 | N-[4-(3-ethyl-[1,2,4]triazolo[3,4-b...)
Show SMILES CCc1nnc2sc(nn12)-c1ccc(NC(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C20H17N5O3S/c1-2-17-22-23-20-25(17)24-19(29-20)12-3-6-14(7-4-12)21-18(26)13-5-8-15-16(11-13)28-10-9-27-15/h3-8,11H,2,9-10H2,1H3,(H,21,26)
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n/an/an/an/a 3.22E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM38189
PNG
(MLS000118565 | N-(3-chloranyl-4-methyl-phenyl)-2-[...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)cc1Cl
Show InChI InChI=1S/C20H18ClN5O2S2/c1-12-7-8-13(9-14(12)21)22-18(27)11-29-19-24-23-17(25(19)2)10-26-15-5-3-4-6-16(15)30-20(26)28/h3-9H,10-11H2,1-2H3,(H,22,27)
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40534
PNG
(1,5-dimethyl-4-oxidanylidene-N-(3,4,5-trimethoxyph...)
Show SMILES COc1cc(NC(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)cc(OC)c1OC
Show InChI InChI=1S/C23H23N3O5/c1-25-17(12-15-20(25)14-8-6-7-9-16(14)26(2)23(15)28)22(27)24-13-10-18(29-3)21(31-5)19(11-13)30-4/h6-12H,1-5H3,(H,24,27)
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n/an/an/an/a 1.29E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40538
PNG
(6-(ethylthio)-1-(4-methylphenyl)-2H-pyrazolo[3,4-d...)
Show SMILES CCSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(C)cc1
Show InChI InChI=1S/C14H14N4OS/c1-3-20-14-16-12-11(13(19)17-14)8-15-18(12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,16,17,19)
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n/an/an/an/a 1.44E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40548
PNG
(2-(1-Benzo[1,3]dioxol-5-yl-1H-tetrazol-5-ylsulfany...)
Show SMILES Cc1ccc(NC(=O)CSc2nnnn2-c2ccc3OCOc3c2)cc1C
Show InChI InChI=1S/C18H17N5O3S/c1-11-3-4-13(7-12(11)2)19-17(24)9-27-18-20-21-22-23(18)14-5-6-15-16(8-14)26-10-25-15/h3-8H,9-10H2,1-2H3,(H,19,24)
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n/an/an/an/a 8.47E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40500
PNG
(6-amino-1,3-dimethyl-5-(3-methyl-1-phenyl-thieno[2...)
Show SMILES Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C19H17N5O3S/c1-10-12-9-13(28-18(12)24(21-10)11-7-5-4-6-8-11)15(25)14-16(20)22(2)19(27)23(3)17(14)26/h4-9H,20H2,1-3H3
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n/an/an/an/a 1.26E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40510
PNG
(4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]ph...)
Show SMILES CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C21H21FN4O5S2/c1-2-31-21(28)25-9-11-26(12-10-25)33(29,30)16-6-3-14(4-7-16)19(27)24-20-23-17-8-5-15(22)13-18(17)32-20/h3-8,13H,2,9-12H2,1H3,(H,23,24,27)
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n/an/an/an/a 1.16E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40520
PNG
(2-(4-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazo...)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-15-3-1-13(2-4-15)11-19(25)23-16-5-6-18-17(12-16)24-20(26-18)14-7-9-22-10-8-14/h1-10,12H,11H2,(H,23,25)
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40521
PNG
(MLS000051543 | N-(4,5-diphenyl-1,3-oxazol-2-yl)-2-...)
Show SMILES Cn1nnnc1SCC(=O)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N6O2S/c1-25-19(22-23-24-25)28-12-15(26)20-18-21-16(13-8-4-2-5-9-13)17(27-18)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,21,26)
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n/an/an/an/a 2.22E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40526
PNG
(2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4...)
Show SMILES CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C20H16BrFN4O2S/c1-2-26-19(17-9-12-8-13(21)6-7-16(12)28-17)24-25-20(26)29-11-18(27)23-15-5-3-4-14(22)10-15/h3-10H,2,11H2,1H3,(H,23,27)
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n/an/an/an/a 1.11E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM28638
PNG
(cid_4076092 | ethyl 2-({2-[(2,3-dihydro-1,4-benzod...)
Show SMILES CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O
Show InChI InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)14-22(27)25-16-7-8-20-21(13-16)32-12-11-31-20/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,25,27)
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n/an/an/an/a 1.26E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM37210
PNG
(6-(4-methoxyphenyl)-3-methyl-N-(4-pyridyl)imidazo[...)
Show SMILES COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C19H16N4O2S/c1-12-17(18(24)21-14-7-9-20-10-8-14)26-19-22-16(11-23(12)19)13-3-5-15(25-2)6-4-13/h3-11H,1-2H3,(H,20,21,24)
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n/an/an/an/a 1.89E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40544
PNG
((6S,8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@H](O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16+,17+,18+/m1/s1
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n/an/an/an/a 1.27E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40546
PNG
(5-bromanyl-N-[6-[(5-bromanylthiophen-2-yl)carbonyl...)
Show SMILES Brc1ccc(s1)C(=O)NCCCCCCNC(=O)c1ccc(Br)s1
Show InChI InChI=1S/C16H18Br2N2O2S2/c17-13-7-5-11(23-13)15(21)19-9-3-1-2-4-10-20-16(22)12-6-8-14(18)24-12/h5-8H,1-4,9-10H2,(H,19,21)(H,20,22)
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n/an/an/an/a 1.28E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40561
PNG
((6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl ...)
Show SMILES Cc1cc2oc(=O)cc(COC(=O)c3n[nH]c4ccccc34)c2cc1C
Show InChI InChI=1S/C20H16N2O4/c1-11-7-15-13(9-18(23)26-17(15)8-12(11)2)10-25-20(24)19-14-5-3-4-6-16(14)21-22-19/h3-9H,10H2,1-2H3,(H,21,22)
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n/an/an/an/a 1.35E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40489
PNG
(DIETHYLSTILBESTROL DIPROPIONATE | MLS000028439 | S...)
Show SMILES CCC(=O)Oc1ccc(cc1)C(\CC)=C(/CC)c1ccc(OC(=O)CC)cc1
Show InChI InChI=1S/C24H28O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16H,5-8H2,1-4H3/b22-21+
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n/an/an/an/a 1.81E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40490
PNG
((8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-8...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,17,19,21H,4-7,9H2,1H3/t12-,13-,15+,17+,18+/m1/s1
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n/an/an/an/a 1.25E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40501
PNG
(2,5-dimethyl-4-[1-oxo-2-[[5-(3,4,5-trimethoxypheny...)
Show SMILES CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(o1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H25N3O7S/c1-7-31-21(27)18-12(3)23-11(2)17(18)14(26)10-33-22-25-24-20(32-22)13-8-15(28-4)19(30-6)16(9-13)29-5/h8-9,23H,7,10H2,1-6H3
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n/an/an/an/a 1.25E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40511
PNG
(5-(1,3-benzodioxol-5-yl)-N-(3-pyridinyl)-3-isoxazo...)
Show SMILES O=C(Nc1cccnc1)c1cc(on1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C16H11N3O4/c20-16(18-11-2-1-5-17-8-11)12-7-14(23-19-12)10-3-4-13-15(6-10)22-9-21-13/h1-8H,9H2,(H,18,20)
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n/an/an/an/a 1.29E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40512
PNG
(2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dih...)
Show SMILES COc1ccc(CCn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1OC
Show InChI InChI=1S/C22H22N4O5S2/c1-13-10-18(25-31-13)24-19(27)12-33-22-23-15-7-9-32-20(15)21(28)26(22)8-6-14-4-5-16(29-2)17(11-14)30-3/h4-5,7,9-11H,6,8,12H2,1-3H3,(H,24,25,27)
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n/an/an/an/a 1.28E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM35413
PNG
(6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfan...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H13ClN4O2S/c20-13-8-6-12(7-9-13)16(25)11-27-19-22-17-15(18(26)23-19)10-21-24(17)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23,26)
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n/an/an/an/a 9.92E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40518
PNG
(2-N-(4-ethylphenyl)-6-[(1-phenyltetrazol-5-yl)sulf...)
Show SMILES CCc1ccc(Nc2nc(N)nc(CSc3nnnn3-c3ccccc3)n2)cc1
Show InChI InChI=1S/C19H19N9S/c1-2-13-8-10-14(11-9-13)21-18-23-16(22-17(20)24-18)12-29-19-25-26-27-28(19)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H3,20,21,22,23,24)
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n/an/an/an/a 4.76E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40519
PNG
(MLS000100083 | N-[4-[5-(4-methylphenyl)-1,3,4-oxad...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1ccc(NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C20H15N3O3/c1-13-4-6-14(7-5-13)19-22-23-20(26-19)15-8-10-16(11-9-15)21-18(24)17-3-2-12-25-17/h2-12H,1H3,(H,21,24)
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n/an/an/an/a 1.04E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40528
PNG
(2-phenyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)ace...)
Show SMILES O=C(Cc1ccccc1)Nc1ccc2oc(nc2c1)-c1cccnc1
Show InChI InChI=1S/C20H15N3O2/c24-19(11-14-5-2-1-3-6-14)22-16-8-9-18-17(12-16)23-20(25-18)15-7-4-10-21-13-15/h1-10,12-13H,11H2,(H,22,24)
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n/an/an/an/a 2.12E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM34499
PNG
(3-(2-ethoxyphenyl)-8-(2-methoxy-1-naphthalenyl)-6-...)
Show SMILES CCOc1ccccc1N1CSC2=C(C#N)C(CC(=O)N2C1)c1c(OC)ccc2ccccc12 |c:13|
Show InChI InChI=1S/C27H25N3O3S/c1-3-33-23-11-7-6-10-22(23)29-16-30-25(31)14-20(21(15-28)27(30)34-17-29)26-19-9-5-4-8-18(19)12-13-24(26)32-2/h4-13,20H,3,14,16-17H2,1-2H3
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n/an/an/an/a 1.61E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40533
PNG
(2-[6-(1-azepanylsulfonyl)-2-oxo-1,3-benzoxazol-3-y...)
Show SMILES O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCCCC1)NC1CCCCC1
Show InChI InChI=1S/C21H29N3O5S/c25-20(22-16-8-4-3-5-9-16)15-24-18-11-10-17(14-19(18)29-21(24)26)30(27,28)23-12-6-1-2-7-13-23/h10-11,14,16H,1-9,12-13,15H2,(H,22,25)
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n/an/an/an/a 1.29E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40535
PNG
(2-(4-chloranylphenoxy)-N-[2-methyl-5-(3-methyl-[1,...)
Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H16ClN5O2S/c1-11-3-4-13(18-24-25-12(2)22-23-19(25)28-18)9-16(11)21-17(26)10-27-15-7-5-14(20)6-8-15/h3-9H,10H2,1-2H3,(H,21,26)
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n/an/an/an/a 1.72E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40539
PNG
(2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-thi...)
Show SMILES CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
Show InChI InChI=1S/C15H13N3O3S2/c1-3-21-14(20)12-8(2)17-15(23-12)18-13(19)9-4-5-10-11(6-9)22-7-16-10/h4-7H,3H2,1-2H3,(H,17,18,19)
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40545
PNG
(2-ethoxy-2H-quinoline-1-carboxylic acid ethyl este...)
Show SMILES CCOC1C=Cc2ccccc2N1C(=O)OCC |c:4|
Show InChI InChI=1S/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40547
PNG
(6-Ethyl-2-[2-oxo-2-(3-oxo-3,4-dihydro-2H-quinoxali...)
Show SMILES CCc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc34)c(cc2c1)C#N
Show InChI InChI=1S/C22H18N4O2S/c1-2-14-7-8-17-15(9-14)10-16(11-23)22(25-17)29-13-21(28)26-12-20(27)24-18-5-3-4-6-19(18)26/h3-10H,2,12-13H2,1H3,(H,24,27)
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n/an/an/an/a 3.29E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40549
PNG
(1-(2-Ethoxy-phenyl)-5,5-bis-(2-pyridin-4-yl-ethyl)...)
Show SMILES CCOc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O
Show InChI InChI=1S/C26H26N4O4/c1-2-34-22-6-4-3-5-21(22)30-24(32)26(23(31)29-25(30)33,13-7-19-9-15-27-16-10-19)14-8-20-11-17-28-18-12-20/h3-6,9-12,15-18H,2,7-8,13-14H2,1H3,(H,29,31,33)
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n/an/an/an/a 1.27E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40550
PNG
(MLS000121662 | N-(4-Acetyl-phenyl)-2-[1-(3-methoxy...)
Show SMILES COc1cccc(c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C18H17N5O3S/c1-12(24)13-6-8-14(9-7-13)19-17(25)11-27-18-20-21-22-23(18)15-4-3-5-16(10-15)26-2/h3-10H,11H2,1-2H3,(H,19,25)
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n/an/an/an/a 1.73E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40219
PNG
(3-(4-methylphenyl)-4-[[(Z)-3-(2-nitrophenyl)prop-2...)
Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15|
Show InChI InChI=1S/C18H15N5O2S/c1-13-8-10-15(11-9-13)17-20-21-18(26)22(17)19-12-4-6-14-5-2-3-7-16(14)23(24)25/h2-12H,1H3,(H,21,26)
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n/an/an/an/a 6.52E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40484
PNG
(2-Oxo-2H-chromene-3-carboxylic acid furan-2-ylmeth...)
Show SMILES O=C(N(Cc1ccco1)Cc1cccs1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H15NO4S/c22-19(17-11-14-5-1-2-8-18(14)25-20(17)23)21(12-15-6-3-9-24-15)13-16-7-4-10-26-16/h1-11H,12-13H2
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40495
PNG
(MLS000041361 | N-(3,4-dimethylphenyl)-2-[[4-(2-fur...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C
Show InChI InChI=1S/C21H20N6O2S/c1-14-5-6-16(10-15(14)2)24-19(28)13-30-21-26-25-20(18-11-22-7-8-23-18)27(21)12-17-4-3-9-29-17/h3-11H,12-13H2,1-2H3,(H,24,28)
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n/an/an/an/a 3.76E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40497
PNG
(MLS000039941 | SMR000045853 | cid_664725)
Show SMILES [H][C@@]12CN(C[C@@]([H])(C1)c1cccc(=O)n1C2)C(=O)c1ccc(cc1)-c1nnc(OC)c2ccccc12 |TLB:9:8:7:3.2.4|
Show InChI InChI=1S/C27H24N4O3/c1-34-26-22-6-3-2-5-21(22)25(28-29-26)18-9-11-19(12-10-18)27(33)30-14-17-13-20(16-30)23-7-4-8-24(32)31(23)15-17/h2-12,17,20H,13-16H2,1H3/t17-,20+/m0/s1
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n/an/an/an/a 1.50E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50240982
PNG
((E)-(7S,11S)-2,4,11-Trihydroxy-7-methyl-7,8,9,10,1...)
Show SMILES C[C@H]1CCC[C@@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:10|
Show InChI InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1
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n/an/an/an/a 9.22E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40508
PNG
(MLS000047251 | N-[4-(5-thien-2-yl-1,2,4-oxadiazol-...)
Show SMILES O=C(Nc1ccc(cc1)-c1noc(n1)-c1cccs1)c1cccnc1
Show InChI InChI=1S/C18H12N4O2S/c23-17(13-3-1-9-19-11-13)20-14-7-5-12(6-8-14)16-21-18(24-22-16)15-4-2-10-25-15/h1-11H,(H,20,23)
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40514
PNG
(MLS000043695 | N-(2-aminocarbonyl-1-benzofuran-3-y...)
Show SMILES NC(=O)c1oc2ccccc2c1NC(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C17H11N3O3S/c18-15(21)14-13(9-5-1-3-7-11(9)23-14)20-16(22)17-19-10-6-2-4-8-12(10)24-17/h1-8H,(H2,18,21)(H,20,22)
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n/an/an/an/a 1.34E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40531
PNG
(5-(4-fluorophenyl)-7-(3-methoxyphenyl)-1,5,6,7-tet...)
Show SMILES COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN5O/c1-25-14-4-2-3-12(9-14)16-10-15(11-5-7-13(19)8-6-11)21-18-22-17(20)23-24(16)18/h2-9,15-16H,10H2,1H3,(H3,20,21,22,23)
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n/an/an/an/a 6.71E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40541
PNG
(2-[2-[4-[(2-fluorobenzoyl)amino]furazan-3-yl]benzi...)
Show SMILES CCOC(=O)Cn1c(nc2ccccc12)-c1nonc1NC(=O)c1ccccc1F
Show InChI InChI=1S/C20H16FN5O4/c1-2-29-16(27)11-26-15-10-6-5-9-14(15)22-19(26)17-18(25-30-24-17)23-20(28)12-7-3-4-8-13(12)21/h3-10H,2,11H2,1H3,(H,23,25,28)
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40542
PNG
(1-(3-methylsulfanyl-6-thiophen-3-yl-6H-[1,2,4]tria...)
Show SMILES CSc1nnc-2c(OC(N(C(C)=O)c3ccccc-23)c2ccsc2)n1
Show InChI InChI=1S/C17H14N4O2S2/c1-10(22)21-13-6-4-3-5-12(13)14-15(18-17(24-2)20-19-14)23-16(21)11-7-8-25-9-11/h3-9,16H,1-2H3
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n/an/an/an/a 2.26E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40554
PNG
(5-acetyl-4-methyl-2-[[1-oxo-2-[(5-phenyl-1,3,4-oxa...)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(o1)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C20H19N3O5S2/c1-4-27-19(26)15-11(2)16(12(3)24)30-18(15)21-14(25)10-29-20-23-22-17(28-20)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,21,25)
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40555
PNG
((4-quinoxalin-2-ylphenyl) 5-bromanylfuran-2-carbox...)
Show SMILES Brc1ccc(o1)C(=O)Oc1ccc(cc1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C19H11BrN2O3/c20-18-10-9-17(25-18)19(23)24-13-7-5-12(6-8-13)16-11-21-14-3-1-2-4-15(14)22-16/h1-11H
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n/an/an/an/a 6.97E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40563
PNG
(5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thio...)
Show SMILES Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3OS2/c14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
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n/an/an/an/a 2.45E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM37524
PNG
(1-(2,5-Dimethoxy-phenyl)-2-[5-(3,4-dimethoxy-pheny...)
Show SMILES COc1ccc(OC)c(c1)C(=O)CSc1nnc(o1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O6S/c1-24-13-6-8-16(25-2)14(10-13)15(23)11-29-20-22-21-19(28-20)12-5-7-17(26-3)18(9-12)27-4/h5-10H,11H2,1-4H3
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40483
PNG
(3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-...)
Show SMILES COc1nc(ccc1-c1noc(n1)-c1ccco1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12ClN3O3/c1-23-17-13(16-21-18(25-22-16)15-3-2-10-24-15)8-9-14(20-17)11-4-6-12(19)7-5-11/h2-10H,1H3
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n/an/an/an/a 1.09E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40485
PNG
((4-Benzyl-4H-thieno[3,2-b]pyrrol-5-yl)-(2,3-dihydr...)
Show SMILES O=C(N1CCc2ccccc12)c1cc2sccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H18N2OS/c25-22(23-12-10-17-8-4-5-9-18(17)23)20-14-21-19(11-13-26-21)24(20)15-16-6-2-1-3-7-16/h1-9,11,13-14H,10,12,15H2
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n/an/an/an/a 2.34E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40486
PNG
(MLS000074153 | Morpholine-4-carboxylic acid (4-met...)
Show SMILES Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C24H27N3O3/c1-17-3-6-19(7-4-17)15-27(24(29)26-9-11-30-12-10-26)16-21-14-20-13-18(2)5-8-22(20)25-23(21)28/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,28)
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n/an/an/an/a 1.26E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40487
PNG
(MLS000033347 | N-(5-fluoranyl-2-methyl-phenyl)quin...)
Show SMILES Cc1ccc(F)cc1NC(=O)c1cccc2nccnc12
Show InChI InChI=1S/C16H12FN3O/c1-10-5-6-11(17)9-14(10)20-16(21)12-3-2-4-13-15(12)19-8-7-18-13/h2-9H,1H3,(H,20,21)
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n/an/an/an/a 1.30E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40488
PNG
(5-(4-Ethoxy-benzyl)-2-[(Z)-pyridin-2-ylimino]-thia...)
Show SMILES CCOc1ccc(Cc2sc(Nc3ccccn3)nc2O)cc1
Show InChI InChI=1S/C17H17N3O2S/c1-2-22-13-8-6-12(7-9-13)11-14-16(21)20-17(23-14)19-15-5-3-4-10-18-15/h3-10,21H,2,11H2,1H3,(H,18,19,20)
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n/an/an/an/a 2.51E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40493
PNG
(HEXESTROL DIPROPIONATE | MLS000028406 | SMR0000583...)
Show SMILES CCC(C(CC)c1ccc(OC(=O)CC)cc1)c1ccc(OC(=O)CC)cc1
Show InChI InChI=1S/C24H30O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16,21-22H,5-8H2,1-4H3
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n/an/an/an/a 1.02E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40494
PNG
(MLS000036541 | SMR000042120 | cid_661492)
Show SMILES COCCCn1c2nc(C)n(-c3ccccc3OC)c(=O)c2c2nc3ccccc3nc12 |(13.64,6.58,;13.64,5.04,;12.31,4.27,;12.31,2.73,;10.98,1.96,;10.98,.42,;9.74,-.49,;8.19,-.13,;7.11,-1.3,;5.61,-.98,;7.6,-2.82,;6.57,-3.97,;7.06,-5.43,;6.03,-6.58,;4.52,-6.26,;4.04,-4.8,;5.07,-3.65,;4.59,-2.19,;3.08,-1.87,;9.16,-3.14,;9.66,-4.6,;10.21,-1.94,;11.74,-1.95,;12.78,-3.09,;14.28,-2.77,;15.34,-3.98,;16.91,-3.66,;17.4,-2.13,;16.32,-.95,;14.76,-1.31,;13.73,-.16,;12.22,-.48,)|
Show InChI InChI=1S/C24H23N5O3/c1-15-25-22-20(24(30)29(15)18-11-6-7-12-19(18)32-3)21-23(28(22)13-8-14-31-2)27-17-10-5-4-9-16(17)26-21/h4-7,9-12H,8,13-14H2,1-3H3
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n/an/an/an/a 1.27E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40498
PNG
(6-(2,4-dichlorophenyl)-3-(5-methyl-1H-pyrazol-3-yl...)
Show SMILES Cc1cc(n[nH]1)-c1nnc2sc(nn12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H8Cl2N6S/c1-6-4-10(17-16-6)11-18-19-13-21(11)20-12(22-13)8-3-2-7(14)5-9(8)15/h2-5H,1H3,(H,16,17)
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n/an/an/an/a 1.54E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40503
PNG
((3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methylthien...)
Show SMILES Cc1noc(C)c1COC(=O)c1cc2c3ccccc3n(C)c2s1
Show InChI InChI=1S/C18H16N2O3S/c1-10-14(11(2)23-19-10)9-22-18(21)16-8-13-12-6-4-5-7-15(12)20(3)17(13)24-16/h4-8H,9H2,1-3H3
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n/an/an/an/a 2.31E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40505
PNG
(1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[[5-(2-...)
Show SMILES Cc1cc(C(=O)CSc2nnc(o2)-c2ccccc2F)c(C)n1Cc1cccs1
Show InChI InChI=1S/C21H18FN3O2S2/c1-13-10-17(14(2)25(13)11-15-6-5-9-28-15)19(26)12-29-21-24-23-20(27-21)16-7-3-4-8-18(16)22/h3-10H,11-12H2,1-2H3
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n/an/an/an/a 6.97E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40523
PNG
(2-(2,4-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benz...)
Show SMILES CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-14(22)10-16(18)23)20(27)25-15-3-5-19-17(11-15)26-21(29-19)13-6-8-24-9-7-13/h2-12H,1H3,(H,25,27)
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n/an/an/an/a 1.14E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40524
PNG
(2-[(2-methyl-3-furoyl)amino]-4-(4-pyridyl)thiophen...)
Show SMILES COC(=O)c1c(NC(=O)c2ccoc2C)scc1-c1ccncc1
Show InChI InChI=1S/C17H14N2O4S/c1-10-12(5-8-23-10)15(20)19-16-14(17(21)22-2)13(9-24-16)11-3-6-18-7-4-11/h3-9H,1-2H3,(H,19,20)
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n/an/an/an/a 2.31E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40529
PNG
(3,4,5-trimethoxy-N-[5-(3-methyl-2-thienyl)-1,3,4-t...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)-c1sccc1C
Show InChI InChI=1S/C17H17N3O4S2/c1-9-5-6-25-14(9)16-19-20-17(26-16)18-15(21)10-7-11(22-2)13(24-4)12(8-10)23-3/h5-8H,1-4H3,(H,18,20,21)
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n/an/an/an/a 1.32E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40536
PNG
(MLS000101283 | N-cyclohexyl-2-[[3-(2-methoxyphenyl...)
Show SMILES COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2CCSc2c1=O |(9.75,6.93,;9.75,5.39,;8.41,4.62,;7.08,5.39,;5.75,4.62,;5.75,3.08,;7.08,2.31,;8.41,3.08,;9.75,2.31,;9.75,.77,;8.41,,;8.41,-1.54,;7.08,-2.31,;5.75,-1.54,;7.08,-3.85,;5.75,-4.62,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;11.08,,;12.42,.77,;13.87,.3,;14.77,1.54,;13.87,2.78,;12.42,2.31,;11.08,3.08,;11.08,4.62,)|
Show InChI InChI=1S/C21H25N3O3S2/c1-27-17-10-6-5-9-16(17)24-20(26)19-15(11-12-28-19)23-21(24)29-13-18(25)22-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,22,25)
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n/an/an/an/a 6.62E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40551
PNG
(2-(1H-quinolin-4-ylidene)indane-1,3-quinone | 2-(1...)
Show SMILES O=C1C(C(=O)c2ccccc12)c1ccnc2ccccc12
Show InChI InChI=1S/C18H11NO2/c20-17-13-6-1-2-7-14(13)18(21)16(17)12-9-10-19-15-8-4-3-5-11(12)15/h1-10,16H
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n/an/an/an/a 6.74E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40552
PNG
(2-(7-Methyl-quinolin-2-yl)-indan-1,3-dione | 2-(7-...)
Show SMILES Cc1ccc2ccc(nc2c1)C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H13NO2/c1-11-6-7-12-8-9-15(20-16(12)10-11)17-18(21)13-4-2-3-5-14(13)19(17)22/h2-10,17H,1H3
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n/an/an/an/a 1.32E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40558
PNG
(4-(4-Methoxy-phenyl)-2-methyl-5-oxo-5H-indeno[1,2-...)
Show SMILES COc1ccc(cc1)-c1c2C(=O)c3ccccc3-c2nc(C)c1C#N
Show InChI InChI=1S/C21H14N2O2/c1-12-17(11-22)18(13-7-9-14(25-2)10-8-13)19-20(23-12)15-5-3-4-6-16(15)21(19)24/h3-10H,1-2H3
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40564
PNG
(4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-(b...)
Show SMILES COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H23N3O7S/c1-32-18-11-16(17(12-19(18)33-2)26-22(29)20-9-6-10-35-20)23(30)34-14-21(28)27-24(31)25-13-15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3,(H,26,29)(H2,25,27,28,31)
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n/an/an/an/a 1.58E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40479
PNG
(3-(2-Phenyl-imidazol-1-yl)-propionic acid | 3-(2-p...)
Show SMILES OC(=O)CCn1ccnc1-c1ccccc1
Show InChI InChI=1S/C12H12N2O2/c15-11(16)6-8-14-9-7-13-12(14)10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,15,16)
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n/an/an/an/a 1.25E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40481
PNG
(Furan-2-carboxylic acid [1-(4-methyl-benzyl)-1H-be...)
Show SMILES Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O2/c1-14-8-10-15(11-9-14)13-23-17-6-3-2-5-16(17)21-20(23)22-19(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,22,24)
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n/an/an/an/a 1.46E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40492
PNG
(1,3,5(10)-ESTRATRIEN-3,16-ALPHA, 17-BETA-TRIOL 3-G...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C([O-])=O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/p-1/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1
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n/an/an/an/a 9.16E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40502
PNG
(MLS000054691 | N-(3-methylbutyl)-2-[(4-oxidanylide...)
Show SMILES CC(C)CCNC(=O)COc1ccc2c3CCCc3c(=O)oc2c1
Show InChI InChI=1S/C19H23NO4/c1-12(2)8-9-20-18(21)11-23-13-6-7-15-14-4-3-5-16(14)19(22)24-17(15)10-13/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,20,21)
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n/an/an/an/a 1.33E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40507
PNG
(5-bromanyl-N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazo...)
Show SMILES CCOc1ccccc1-c1nc(no1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
Show InChI InChI=1S/C21H16BrN3O4/c1-2-27-16-6-4-3-5-15(16)21-24-19(25-29-21)13-7-9-14(10-8-13)23-20(26)17-11-12-18(22)28-17/h3-12H,2H2,1H3,(H,23,26)
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n/an/an/an/a 1.27E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40516
PNG
(3-(6-amino-5-cyano-3-ethyl-1,4-dihydropyrano[2,3-c...)
Show SMILES CCc1[nH]nc2OC(=N)C(C#N)C(c12)c1cccc(OC(=O)N2CCOCC2)c1
Show InChI InChI=1S/C20H21N5O4/c1-2-15-17-16(14(11-21)18(22)29-19(17)24-23-15)12-4-3-5-13(10-12)28-20(26)25-6-8-27-9-7-25/h3-5,10,14,16,22H,2,6-9H2,1H3,(H,23,24)
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n/an/an/an/a 6.39E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40530
PNG
(4-chloranyl-8-(diethylamino)pyrano[3,2-c]chromene-...)
Show SMILES CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc21
Show InChI InChI=1S/C16H14ClNO4/c1-3-18(4-2)9-5-6-10-12(7-9)21-16(20)14-11(17)8-13(19)22-15(10)14/h5-8H,3-4H2,1-2H3
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n/an/an/an/a 1.46E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40540
PNG
(2-hydroxy-2-phenyl-acetic acid [2-(2,3-dihydro-1,4...)
Show SMILES OC(C(=O)OCC(=O)c1ccc2OCCOc2c1)c1ccccc1
Show InChI InChI=1S/C18H16O6/c19-14(13-6-7-15-16(10-13)23-9-8-22-15)11-24-18(21)17(20)12-4-2-1-3-5-12/h1-7,10,17,20H,8-9,11H2
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40543
PNG
((2-mesyl-4-tosyl-thiazol-5-yl)-(tetrahydrofurfuryl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(sc1NCC1CCCO1)S(C)(=O)=O
Show InChI InChI=1S/C16H20N2O5S3/c1-11-5-7-13(8-6-11)26(21,22)15-14(17-10-12-4-3-9-23-12)24-16(18-15)25(2,19)20/h5-8,12,17H,3-4,9-10H2,1-2H3
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n/an/an/an/a 1.00E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40556
PNG
(2-(2-furanyl)-4-benzo[h][1]benzopyranone | 2-(2-fu...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccco1
Show InChI InChI=1S/C17H10O3/c18-14-10-16(15-6-3-9-19-15)20-17-12-5-2-1-4-11(12)7-8-13(14)17/h1-10H
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n/an/an/an/a 1.24E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40559
PNG
((3-quinoxalin-2-ylphenyl) furan-2-carboxylate | 2-...)
Show SMILES O=C(Oc1cccc(c1)-c1cnc2ccccc2n1)c1ccco1
Show InChI InChI=1S/C19H12N2O3/c22-19(18-9-4-10-23-18)24-14-6-3-5-13(11-14)17-12-20-15-7-1-2-8-16(15)21-17/h1-12H
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n/an/an/an/a 2.69E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40560
PNG
(1,4-dioxane;N-[4-(4-morpholin-4-ylsulfonylphenyl)-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C20H19N3O4S2/c24-19(16-4-2-1-3-5-16)22-20-21-18(14-28-20)15-6-8-17(9-7-15)29(25,26)23-10-12-27-13-11-23/h1-9,14H,10-13H2,(H,21,22,24)
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n/an/an/an/a 1.51E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40251
PNG
(2-(4-fluoroanilino)-6-[(1-phenyltetrazol-5-yl)sulf...)
Show SMILES Fc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C18H14FN7OS/c19-12-6-8-13(9-7-12)20-17-21-14(10-16(27)22-17)11-28-18-23-24-25-26(18)15-4-2-1-3-5-15/h1-10H,11H2,(H2,20,21,22,27)
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n/an/an/an/a 1.25E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM33042
PNG
(MLS000040389 | N,N-diethyl-4-[3-(2-methoxyphenyl)-...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
Show InChI InChI=1S/C20H21N5OS/c1-4-24(5-2)15-12-10-14(11-13-15)19-23-25-18(21-22-20(25)27-19)16-8-6-7-9-17(16)26-3/h6-13H,4-5H2,1-3H3
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n/an/an/an/a 1.82E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40499
PNG
(MLS000054352 | SMR000066061 | [1-(4-chlorophenyl)-...)
Show SMILES Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H20ClN5OS/c1-15-18-14-19(30-22(18)28(25-15)17-7-5-16(23)6-8-17)21(29)27-12-10-26(11-13-27)20-4-2-3-9-24-20/h2-9,14H,10-13H2,1H3
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n/an/an/an/a 1.28E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40506
PNG
(1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[[5-(4-...)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)o1
Show InChI InChI=1S/C22H21N3O3S2/c1-14-11-19(15(2)25(14)12-18-5-4-10-29-18)20(26)13-30-22-24-23-21(28-22)16-6-8-17(27-3)9-7-16/h4-11H,12-13H2,1-3H3
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n/an/an/an/a 7.51E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40509
PNG
(MLS000045019 | N-(1,3-benzothiazol-2-yl)-2-(4-keto...)
Show SMILES O=C(Cn1ncc2c1c1ccccc1oc2=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4O3S/c24-16(22-19-21-13-6-2-4-8-15(13)27-19)10-23-17-11-5-1-3-7-14(11)26-18(25)12(17)9-20-23/h1-9H,10H2,(H,21,22,24)
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n/an/an/an/a 6.23E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/an/an/a 2.04E+7n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40522
PNG
(MLS000051597 | N-(4-keto-6,7-dimethoxy-1H-quinazol...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
Show InChI InChI=1S/C18H17N3O5/c1-24-11-6-4-10(5-7-11)16(22)20-18-19-13-9-15(26-3)14(25-2)8-12(13)17(23)21-18/h4-9H,1-3H3,(H2,19,20,21,22,23)
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n/an/an/an/a 1.33E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40537
PNG
(4-(2,5-dioxo-1-pyrrolidinyl)-N-(3-ethyl-4,7-dimeth...)
Show SMILES CCn1c2c(OC)ccc(OC)c2sc1=NC(=O)c1ccc(cc1)-n1c(O)ccc1O |w:15.17|
Show InChI InChI=1S/C22H21N3O5S/c1-4-24-19-15(29-2)9-10-16(30-3)20(19)31-22(24)23-21(28)13-5-7-14(8-6-13)25-17(26)11-12-18(25)27/h5-12,26-27H,4H2,1-3H3
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n/an/an/an/a 7.94E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40557
PNG
(5-(3-methoxyphenyl)-N-(5-methyl-2-phenyl-3-pyrazol...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c1-14-11-20(25(23-14)16-8-4-3-5-9-16)22-21(26)18-13-19(28-24-18)15-7-6-10-17(12-15)27-2/h3-13H,1-2H3,(H,22,26)
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n/an/an/an/a 1.20E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40562
PNG
(5-[[4-(4-methylpiperidino)sulfonylbenzoyl]oxymethy...)
Show SMILES COC(=O)c1ccc(COC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(C)CC2)o1
Show InChI InChI=1S/C20H23NO7S/c1-14-9-11-21(12-10-14)29(24,25)17-6-3-15(4-7-17)19(22)27-13-16-5-8-18(28-16)20(23)26-2/h3-8,14H,9-13H2,1-2H3
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n/an/an/an/a 1.26E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40482
PNG
(1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-{5-[4-(pyrro...)
Show SMILES CC1Cc2ccccc2N1C(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C23H24N4O4S2/c1-16-14-18-6-2-3-7-20(18)27(16)21(28)15-32-23-25-24-22(31-23)17-8-10-19(11-9-17)33(29,30)26-12-4-5-13-26/h2-3,6-11,16H,4-5,12-15H2,1H3
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n/an/an/an/a 7.79E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40504
PNG
(1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3...)
Show SMILES O=C(Nc1nccs1)c1nc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C18H13N5OS/c24-17(21-18-19-11-12-25-18)15-20-16(13-7-3-1-4-8-13)23(22-15)14-9-5-2-6-10-14/h1-12H,(H,19,21,24)
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n/an/an/an/a 1.86E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40513
PNG
(5-[[[1-(4-fluorophenyl)-4-keto-2H-pyrazolo[3,4-d]p...)
Show SMILES COC(=O)c1ccc(CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(F)cc2)o1
Show InChI InChI=1S/C18H13FN4O4S/c1-26-17(25)14-7-6-12(27-14)9-28-18-21-15-13(16(24)22-18)8-20-23(15)11-4-2-10(19)3-5-11/h2-8H,9H2,1H3,(H,21,22,24)
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n/an/an/an/a 1.29E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40515
PNG
(6-amino-4-(2-ethoxyphenyl)-3-phenyl-2,4-dihydro-[1...)
Show SMILES CCOc1ccccc1C1C(C#N)C(N)=Nc2onc(c12)-c1ccccc1 |c:15|
Show InChI InChI=1S/C21H18N4O2/c1-2-26-16-11-7-6-10-14(16)17-15(12-22)20(23)24-21-18(17)19(25-27-21)13-8-4-3-5-9-13/h3-11,15,17H,2H2,1H3,(H2,23,24)
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n/an/an/an/a 1.75E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40527
PNG
(8-[[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio...)
Show SMILES CCOC(=O)c1cc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c2OCOCc2c1
Show InChI InChI=1S/C25H22N2O6S/c1-2-31-24(29)16-10-17-13-30-15-33-22(17)18(11-16)14-34-25-26-21-8-4-3-7-20(21)23(28)27(25)12-19-6-5-9-32-19/h3-11H,2,12-15H2,1H3
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n/an/an/an/a 3.27E+3n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM40532
PNG
(2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-1...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)c1C
Show InChI InChI=1S/C26H28N4O2/c1-17-8-7-11-21(18(17)2)29-12-14-30(15-13-29)26(32)23-16-20-24(27(23)3)19-9-5-6-10-22(19)28(4)25(20)31/h5-11,16H,12-15H2,1-4H3
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n/an/an/an/a 1.28E+4n/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/Q2F47MJ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%