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PubChem AID 435004

Compile Data Set for Download or QSAR

Found 1949 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
Hsf1 protein


(Mus musculus)
BDBM37522
PNG
(3-(3,6-diketo-1H-pyridazin-2-yl)propionic acid | 3...)
Show SMILES OC(=O)CCn1[nH]c(=O)ccc1=O
Show InChI InChI=1S/C7H8N2O4/c10-5-1-2-6(11)9(8-5)4-3-7(12)13/h1-2H,3-4H2,(H,8,10)(H,12,13)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71634
PNG
(2-(4-morpholinyl)-N-(2-naphthalenyl)-N-phenylaceta...)
Show SMILES O=C(CN1CCOCC1)N(c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H22N2O2/c25-22(17-23-12-14-26-15-13-23)24(20-8-2-1-3-9-20)21-11-10-18-6-4-5-7-19(18)16-21/h1-11,16H,12-15,17H2
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71635
PNG
(MLS000073302 | N'-[2-(tert-butylamino)-1-(2,3-dime...)
Show SMILES COc1cccc(C(N(CC=C)C(=O)CCC(=O)Nc2cc(C)on2)C(=O)NC(C)(C)C)c1OC
Show InChI InChI=1S/C25H34N4O6/c1-8-14-29(21(31)13-12-20(30)26-19-15-16(2)35-28-19)22(24(32)27-25(3,4)5)17-10-9-11-18(33-6)23(17)34-7/h8-11,15,22H,1,12-14H2,2-7H3,(H,27,32)(H,26,28,30)
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71636
PNG
(3-(4-Fluoro-phenyl)-N-furan-2-ylmethyl-2-(5-methyl...)
Show SMILES Cc1ccc(=O)n(c1)C(C(=O)NCc1ccco1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN2O4/c1-13-4-9-17(24)23(12-13)18(19(25)14-5-7-15(21)8-6-14)20(26)22-11-16-3-2-10-27-16/h2-10,12,18H,11H2,1H3,(H,22,26)
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71639
PNG
(2-(3-Cyclopropanecarbonyl-indol-1-yl)-1-piperidin-...)
Show SMILES O=C(Cn1cc(C(=O)C2CC2)c2ccccc12)N1CCCCC1
Show InChI InChI=1S/C19H22N2O2/c22-18(20-10-4-1-5-11-20)13-21-12-16(19(23)14-8-9-14)15-6-2-3-7-17(15)21/h2-3,6-7,12,14H,1,4-5,8-11,13H2
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM42593
PNG
(2-[1-(2-furanylmethylamino)ethylidene]indene-1,3-d...)
Show SMILES CC(NCc1ccco1)=C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO3/c1-10(17-9-11-5-4-8-20-11)14-15(18)12-6-2-3-7-13(12)16(14)19/h2-8,17H,9H2,1H3
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM39084
PNG
(3-(2-furanylmethyl)-9-methyl-N-(2-oxolanylmethyl)-...)
Show SMILES Cc1cccc2cc3CN(Cc4ccco4)\C(Sc3nc12)=N\CC1CCCO1
Show InChI InChI=1S/C22H23N3O2S/c1-15-5-2-6-16-11-17-13-25(14-19-8-4-10-27-19)22(28-21(17)24-20(15)16)23-12-18-7-3-9-26-18/h2,4-6,8,10-11,18H,3,7,9,12-14H2,1H3/b23-22-
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n/an/an/an/a 4.46E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM42605
PNG
(MLS000073796 | N-(5-Methyl-isoxazol-3-yl)-2-(2-pro...)
Show SMILES CCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
Show InChI InChI=1S/C17H18N4O2S/c1-3-6-14-18-13-8-5-4-7-12(13)17(20-14)24-10-16(22)19-15-9-11(2)23-21-15/h4-5,7-9H,3,6,10H2,1-2H3,(H,19,21,22)
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n/an/an/an/a 3.16E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71654
PNG
(2-[5-(3-methoxyphenyl)-2-tetrazolyl]acetic acid et...)
Show SMILES CCOC(=O)Cn1nnc(n1)-c1cccc(OC)c1
Show InChI InChI=1S/C12H14N4O3/c1-3-19-11(17)8-16-14-12(13-15-16)9-5-4-6-10(7-9)18-2/h4-7H,3,8H2,1-2H3
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71655
PNG
(1-(4-methylphenyl)-2-[5-[2-(1,2,3,4-tetrazol-1-yl)...)
Show SMILES Cc1ccc(cc1)C(=O)Cn1nnc(n1)-c1ccccc1-n1cnnn1
Show InChI InChI=1S/C17H14N8O/c1-12-6-8-13(9-7-12)16(26)10-25-20-17(19-22-25)14-4-2-3-5-15(14)24-11-18-21-23-24/h2-9,11H,10H2,1H3
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71656
PNG
(1-(2,5-Dimethoxy-phenyl)-2-(5-isopropyl-4-propyl-4...)
Show SMILES CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1C(C)C
Show InChI InChI=1S/C18H25N3O3S/c1-6-9-21-17(12(2)3)19-20-18(21)25-11-15(22)14-10-13(23-4)7-8-16(14)24-5/h7-8,10,12H,6,9,11H2,1-5H3
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n/an/an/an/a 6.24E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM35489
PNG
(1-Acetyl-3-(3,4-dichloro-5-oxo-2,5-dihydro-furan-2...)
Show SMILES CC(=O)NC(=O)NC1OC(=O)C(Cl)=C1Cl
Show InChI InChI=1S/C7H6Cl2N2O4/c1-2(12)10-7(14)11-5-3(8)4(9)6(13)15-5/h5H,1H3,(H2,10,11,12,14)
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71660
PNG
(1-(2-Methyl-benzyl)-2-thiazol-5-yl-1H-benzoimidazo...)
Show SMILES Cc1ccccc1Cn1c(nc2ccccc12)-c1cncs1
Show InChI InChI=1S/C18H15N3S/c1-13-6-2-3-7-14(13)11-21-16-9-5-4-8-15(16)20-18(21)17-10-19-12-22-17/h2-10,12H,11H2,1H3
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71676
PNG
(2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-keto-3,4-di...)
Show SMILES CCc1ccc(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H21N3O4S/c1-2-14-3-6-16(7-4-14)25-22(28)12-31-23-18(11-24)17(10-21(27)26-23)15-5-8-19-20(9-15)30-13-29-19/h3-9,17H,2,10,12-13H2,1H3,(H,25,28)(H,26,27)
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71678
PNG
(5,5,8,9-tetramethyl-6H-[1,2,3,4]tetrazolo[5,1-a]is...)
Show SMILES Cc1cc2CC(C)(C)n3nnnc3-c2cc1C
Show InChI InChI=1S/C13H16N4/c1-8-5-10-7-13(3,4)17-12(14-15-16-17)11(10)6-9(8)2/h5-6H,7H2,1-4H3
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71681
PNG
(MLS000078554 | N-[2-(1-ketoisoindolin-2-yl)ethyl]t...)
Show SMILES O=C(NCCN1Cc2ccccc2C1=O)c1cccs1
Show InChI InChI=1S/C15H14N2O2S/c18-14(13-6-3-9-20-13)16-7-8-17-10-11-4-1-2-5-12(11)15(17)19/h1-6,9H,7-8,10H2,(H,16,18)
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM42469
PNG
(2-[5-[(4-bromobenzyl)thio]-4-(2-furfuryl)-1,2,4-tr...)
Show SMILES Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C19H15BrN4OS/c20-15-8-6-14(7-9-15)13-26-19-23-22-18(17-5-1-2-10-21-17)24(19)12-16-4-3-11-25-16/h1-11H,12-13H2
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n/an/an/an/a 3.66E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM48335
PNG
(7,9-bis(chloranyl)-3-ethyl-2-(2-morpholin-4-yl-2-o...)
Show SMILES CCn1c(SCC(=O)N2CCOCC2)nc2oc3c(Cl)cc(Cl)cc3c(=O)c2c1=O
Show InChI InChI=1S/C19H17Cl2N3O5S/c1-2-24-18(27)14-15(26)11-7-10(20)8-12(21)16(11)29-17(14)22-19(24)30-9-13(25)23-3-5-28-6-4-23/h7-8H,2-6,9H2,1H3
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n/an/an/an/a 1.61E+4n/an/an/an/a



Broad Institute

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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM36928
PNG
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C
Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71698
PNG
(MLS000041949 | N-[(1S)-2-[(4aS,8aS)-4a-hydroxy-1,3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1
Show InChI InChI=1S/C25H32N2O5S/c1-32-21-10-12-22(13-11-21)33(30,31)26-23(17-19-7-3-2-4-8-19)24(28)27-16-15-25(29)14-6-5-9-20(25)18-27/h2-4,7-8,10-13,20,23,26,29H,5-6,9,14-18H2,1H3/t20-,23-,25-/m0/s1
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71701
PNG
(8-fluoranyl-5-methyl-3-(2-morpholin-4-ylethyl)pyri...)
Show SMILES Cn1c2ccc(F)cc2c2ncn(CCN3CCOCC3)c(=O)c12
Show InChI InChI=1S/C17H19FN4O2/c1-20-14-3-2-12(18)10-13(14)15-16(20)17(23)22(11-19-15)5-4-21-6-8-24-9-7-21/h2-3,10-11H,4-9H2,1H3
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM49212
PNG
(2-(3,4-dimethoxyphenyl)-6-methyl-imidazo[1,2-a]pyr...)
Show SMILES COc1ccc(cc1OC)-c1cn2cc(C)ccc2n1
Show InChI InChI=1S/C16H16N2O2/c1-11-4-7-16-17-13(10-18(16)9-11)12-5-6-14(19-2)15(8-12)20-3/h4-10H,1-3H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71720
PNG
(5-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-2-...)
Show SMILES CCOc1ccc2nc(SCc3ccc(o3)C(=O)OC)[nH]c2c1
Show InChI InChI=1S/C16H16N2O4S/c1-3-21-10-4-6-12-13(8-10)18-16(17-12)23-9-11-5-7-14(22-11)15(19)20-2/h4-8H,3,9H2,1-2H3,(H,17,18)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71747
PNG
(MLS000095649 | N-[2-(2,4-dimethylphenyl)-2,6-dihyd...)
Show SMILES Cc1ccc(c(C)c1)-n1nc2CSCc2c1NC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H19N3O3S/c1-12-3-5-17(13(2)7-12)24-20(15-9-28-10-16(15)23-24)22-21(25)14-4-6-18-19(8-14)27-11-26-18/h3-8H,9-11H2,1-2H3,(H,22,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM34598
PNG
(MLS000094981 | SMR000030532 | cid_3236301)
Show SMILES CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
Show InChI InChI=1S/C9H6N6O4/c1-2-3-10-4-5(11-3)8-7(13-19-14(8)16)9-6(4)12-18-15(9)17/h16H,2H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71756
PNG
(MLS000089513 | N-[3-(N-ethyl-3-methyl-anilino)prop...)
Show SMILES CCN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(C)c1
Show InChI InChI=1S/C24H29N3O3/c1-4-27(19-10-7-9-18(2)15-19)14-8-13-25-23(28)17-30-22-16-24(29)26(3)21-12-6-5-11-20(21)22/h5-7,9-12,15-16H,4,8,13-14,17H2,1-3H3,(H,25,28)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71763
PNG
(3-[(4-chlorophenyl)sulfonylamino]-3-(2-furyl)-N-se...)
Show SMILES CCC(C)NC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1
Show InChI InChI=1S/C17H21ClN2O4S/c1-3-12(2)19-17(21)11-15(16-5-4-10-24-16)20-25(22,23)14-8-6-13(18)7-9-14/h4-10,12,15,20H,3,11H2,1-2H3,(H,19,21)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71764
PNG
(2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin...)
Show SMILES CCOc1cccc(C2NCc3ccccc3-n3cccc23)c1O
Show InChI InChI=1S/C20H20N2O2/c1-2-24-18-11-5-8-15(20(18)23)19-17-10-6-12-22(17)16-9-4-3-7-14(16)13-21-19/h3-12,19,21,23H,2,13H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM33431
PNG
(3-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-1H-1,2...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4O3/c1-24-13-8-5-11(9-14(13)25-2)16(23)22-17(19)20-15(21-22)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H2,19,20,21)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71796
PNG
(3,3'-[1,4-phenylenebis(methylenethio)]bis(5-is...)
Show SMILES CC(C)c1nnc(SCc2ccc(CSc3nnc(C(C)C)n3N)cc2)n1N
Show InChI InChI=1S/C18H26N8S2/c1-11(2)15-21-23-17(25(15)19)27-9-13-5-7-14(8-6-13)10-28-18-24-22-16(12(3)4)26(18)20/h5-8,11-12H,9-10,19-20H2,1-4H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71810
PNG
(1-ethyl-3-[4-[4-(phenylcarbonyl)phenyl]piperazin-1...)
Show SMILES CCN1C(=O)CC(N2CCN(CC2)c2ccc(cc2)C(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C23H25N3O3/c1-2-26-21(27)16-20(23(26)29)25-14-12-24(13-15-25)19-10-8-18(9-11-19)22(28)17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71819
PNG
(2-[[5-(2-ethoxy-2-keto-ethyl)thiazol-2-yl]carbamoy...)
Show SMILES CCOC(=O)Cc1cnc(NC(=O)NC(C(=O)OCC)(c2ccccc2)C(F)(F)F)s1
Show InChI InChI=1S/C19H20F3N3O5S/c1-3-29-14(26)10-13-11-23-17(31-13)24-16(28)25-18(19(20,21)22,15(27)30-4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,23,24,25,28)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71821
PNG
(3-[5-(4-bromophenyl)-1-(2-furanylmethyl)-2-pyrroly...)
Show SMILES OC(=O)CCc1ccc(-c2ccc(Br)cc2)n1Cc1ccco1
Show InChI InChI=1S/C18H16BrNO3/c19-14-5-3-13(4-6-14)17-9-7-15(8-10-18(21)22)20(17)12-16-2-1-11-23-16/h1-7,9,11H,8,10,12H2,(H,21,22)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71826
PNG
(MLS000065539 | N-cyclohexyl-2-ethoxy-5-methyl-benz...)
Show SMILES CCOc1ccc(C)cc1S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C15H23NO3S/c1-3-19-14-10-9-12(2)11-15(14)20(17,18)16-13-7-5-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71829
PNG
(2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio...)
Show SMILES CSc1ccccc1-n1nnnc1SCC(=O)NCc1cccs1
Show InChI InChI=1S/C15H15N5OS3/c1-22-13-7-3-2-6-12(13)20-15(17-18-19-20)24-10-14(21)16-9-11-5-4-8-23-11/h2-8H,9-10H2,1H3,(H,16,21)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71834
PNG
(1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phen...)
Show SMILES Oc1cc(N(Cc2ccc3OCOc3c2)C(=O)Nc2ccc(F)cc2)c(O)n1-c1ccccc1
Show InChI InChI=1S/C25H20FN3O5/c26-17-7-9-18(10-8-17)27-25(32)28(14-16-6-11-21-22(12-16)34-15-33-21)20-13-23(30)29(24(20)31)19-4-2-1-3-5-19/h1-13,30-31H,14-15H2,(H,27,32)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71843
PNG
(2-ethyl-3-(2-furylmethyl)-8,8-dimethyl-7,10-dihydr...)
Show SMILES CCc1nc2c3cc4COC(C)(C)Cc4nc3sc2c(=O)n1Cc1ccco1
Show InChI InChI=1S/C21H21N3O3S/c1-4-16-23-17-14-8-12-11-27-21(2,3)9-15(12)22-19(14)28-18(17)20(25)24(16)10-13-6-5-7-26-13/h5-8H,4,9-11H2,1-3H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71855
PNG
(1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propa...)
Show SMILES OC(CN1c2ccccc2Sc2ccccc12)Cn1nnc2ccccc12
Show InChI InChI=1S/C21H18N4OS/c26-15(14-25-17-8-2-1-7-16(17)22-23-25)13-24-18-9-3-5-11-20(18)27-21-12-6-4-10-19(21)24/h1-12,15,26H,13-14H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71860
PNG
((E)-3-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-but...)
Show SMILES CCOC(=O)CC(C)=Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C16H19N3O2/c1-4-21-16(20)11-12(2)17-15-10-13(3)18-19(15)14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71867
PNG
(2-(2-methoxy-2-oxoethylidene)-5-(4-methoxyphenyl)-...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=CC(=O)OC)c(=O)n2C1c1ccc(OC)cc1
Show InChI InChI=1S/C20H20N2O6S/c1-5-28-19(25)16-11(2)21-20-22(18(24)14(29-20)10-15(23)27-4)17(16)12-6-8-13(26-3)9-7-12/h6-10,17H,5H2,1-4H3
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Broad Institute

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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM50262140
PNG
((17beta)-estra-1,3,5(10)-triene-2,3,17-triol | 2-O...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)cc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
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Broad Institute

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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71877
PNG
(MLS000035514 | N-[4-(1-naphthalenylsulfamoyl)pheny...)
Show SMILES COC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C18H16N2O4S/c1-24-18(21)19-14-9-11-15(12-10-14)25(22,23)20-17-8-4-6-13-5-2-3-7-16(13)17/h2-12,20H,1H3,(H,19,21)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM70458
PNG
(2-Acetylamino-6-[(3-diethylamino-propylimino)-meth...)
Show SMILES CCOC(=O)c1c(NC(C)=O)sc2c1CCC(\C=N\CCCN(CC)CC)=C2Sc1ccccc1
Show InChI InChI=1S/C27H35N3O3S2/c1-5-30(6-2)17-11-16-28-18-20-14-15-22-23(27(32)33-7-3)26(29-19(4)31)35-25(22)24(20)34-21-12-9-8-10-13-21/h8-10,12-13,18H,5-7,11,14-17H2,1-4H3,(H,29,31)/b28-18+
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n/an/an/an/a 1.66E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71881
PNG
(MLS000122434 | N-tert-Butyl-2-{cyclohexyl-[2-(5-th...)
Show SMILES CC(C)(C)NC(=O)C(N(C1CCCCC1)C(=O)Cn1nnc(n1)-c1cccs1)c1ccncc1
Show InChI InChI=1S/C24H31N7O2S/c1-24(2,3)26-23(33)21(17-11-13-25-14-12-17)31(18-8-5-4-6-9-18)20(32)16-30-28-22(27-29-30)19-10-7-15-34-19/h7,10-15,18,21H,4-6,8-9,16H2,1-3H3,(H,26,33)
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n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71894
PNG
(2-(5-Benzotriazol-1-ylmethyl-4-methyl-4H-[1,2,4]tr...)
Show SMILES Cn1c(Cn2nnc3ccccc23)nnc1SCC(=O)c1ccccc1F
Show InChI InChI=1S/C18H15FN6OS/c1-24-17(10-25-15-9-5-4-8-14(15)20-23-25)21-22-18(24)27-11-16(26)12-6-2-3-7-13(12)19/h2-9H,10-11H2,1H3
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n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71900
PNG
(MLS000527840 | N-[2-[(4-methoxyphenyl)methylamino]...)
Show SMILES COc1ccc(CNC(=O)C(N(C(=O)c2csnn2)c2ccc(cc2)C(C)C)c2ccc(C)o2)cc1
Show InChI InChI=1S/C27H28N4O4S/c1-17(2)20-8-10-21(11-9-20)31(27(33)23-16-36-30-29-23)25(24-14-5-18(3)35-24)26(32)28-15-19-6-12-22(34-4)13-7-19/h5-14,16-17,25H,15H2,1-4H3,(H,28,32)
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n/an/an/an/a 7.37E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71906
PNG
(3,4-bis(chloranyl)-N-[(1-methylpyrazol-4-yl)methyl...)
Show SMILES Cn1cc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)cn1
Show InChI InChI=1S/C14H11Cl2N3OS/c1-19-7-8(6-18-19)5-17-14(20)13-12(16)11-9(15)3-2-4-10(11)21-13/h2-4,6-7H,5H2,1H3,(H,17,20)
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n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71914
PNG
(4-(1H-naphtho[2,3-d]imidazol-1-ylmethyl)phenyl ace...)
Show SMILES CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc23)cc1
Show InChI InChI=1S/C20H16N2O2/c1-14(23)24-18-8-6-15(7-9-18)12-22-13-21-19-10-16-4-2-3-5-17(16)11-20(19)22/h2-11,13H,12H2,1H3
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n/an/an/an/a 4.44E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71915
PNG
(2-fluoranyl-N-[1-(3-nitro-1,2,4-triazol-1-yl)propa...)
Show SMILES C[C+](Cn1cnc(n1)[N+]([O-])=O)[N-]NC(=O)c1ccccc1F
Show InChI InChI=1S/C12H11FN6O3/c1-8(6-18-7-14-12(17-18)19(21)22)15-16-11(20)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,16,20)
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n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM71924
PNG
(2-phenyl-4-(phenylsulfanyl)-6-[(phenylsulfinyl)met...)
Show SMILES O=S(Cc1cc(Sc2ccccc2)nc(n1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H18N2OS2/c26-28(21-14-8-3-9-15-21)17-19-16-22(27-20-12-6-2-7-13-20)25-23(24-19)18-10-4-1-5-11-18/h1-16H,17H2
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n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%