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PubChem AID 2382

Compile Data Set for Download or QSAR

Found 2368 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)
BDBM62524
PNG
(2-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl...)
Show SMILES CC1Cc2ccccc2N1C(=O)CSc1ncccc1C(O)=O
Show InChI InChI=1S/C17H16N2O3S/c1-11-9-12-5-2-3-7-14(12)19(11)15(20)10-23-16-13(17(21)22)6-4-8-18-16/h2-8,11H,9-10H2,1H3,(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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM61262
PNG
((2-Methoxy-phenyl)-[3-methyl-[1,3]thiazinan-(2E)-y...)
Show SMILES COc1ccccc1\N=C1/SCCCN1C
Show InChI InChI=1S/C12H16N2OS/c1-14-8-5-9-16-12(14)13-10-6-3-4-7-11(10)15-2/h3-4,6-7H,5,8-9H2,1-2H3/b13-12-
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62544
PNG
(5-Methyl-pyrazine-2-carboxylic acid (2-pyrrol-1-yl...)
Show SMILES Cc1cnc(cn1)C(=O)Nc1ccccc1-n1cccc1
Show InChI InChI=1S/C16H14N4O/c1-12-10-18-14(11-17-12)16(21)19-13-6-2-3-7-15(13)20-8-4-5-9-20/h2-11H,1H3,(H,19,21)
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62555
PNG
(3-Hydroxy-4-methyl-1-(1,2,5-trimethyl-piperidin-4-...)
Show SMILES CC1CN(C)C(C)CC1n1[nH]c(=O)c2c(C)cc(=O)[nH]c12
Show InChI InChI=1S/C15H22N4O2/c1-8-5-12(20)16-14-13(8)15(21)17-19(14)11-6-10(3)18(4)7-9(11)2/h5,9-11H,6-7H2,1-4H3,(H,16,20)(H,17,21)
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62559
PNG
(MLS000031545 | N-[2-(3,5-Dimethyl-pyrazol-1-yl)-2-...)
Show SMILES Cc1cc(C)n(n1)C(=O)CNC(=O)Cc1ccccc1
Show InChI InChI=1S/C15H17N3O2/c1-11-8-12(2)18(17-11)15(20)10-16-14(19)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19)
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62560
PNG
(6,8-Dimethyl-3-{(4-methyl-piperidin-1-yl)-[1-(tetr...)
Show SMILES CC1CCN(CC1)C(c1nnnn1CC1CCCO1)c1cc2cc(C)cc(C)c2[nH]c1=O
Show InChI InChI=1S/C24H32N6O2/c1-15-6-8-29(9-7-15)22(23-26-27-28-30(23)14-19-5-4-10-32-19)20-13-18-12-16(2)11-17(3)21(18)25-24(20)31/h11-13,15,19,22H,4-10,14H2,1-3H3,(H,25,31)
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62571
PNG
(2-[5-(2,3-Dimethyl-1H-indol-5-yl)-[1,3,4]oxadiazol...)
Show SMILES Cc1[nH]c2ccc(cc2c1C)-c1nnc(SCC(=O)c2ccc(F)cc2)o1
Show InChI InChI=1S/C20H16FN3O2S/c1-11-12(2)22-17-8-5-14(9-16(11)17)19-23-24-20(26-19)27-10-18(25)13-3-6-15(21)7-4-13/h3-9,22H,10H2,1-2H3
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62575
PNG
(5-(5-Methyl-furan-2-yl)-2H-tetrazole | 5-(5-methyl...)
Show SMILES Cc1ccc(o1)-c1nnn[nH]1
Show InChI InChI=1S/C6H6N4O/c1-4-2-3-5(11-4)6-7-9-10-8-6/h2-3H,1H3,(H,7,8,9,10)
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62576
PNG
(3-Cyclohexyl-1-cyclopentyl-1-(6,7-dimethoxy-2-oxo-...)
Show SMILES COc1cc2cc(CN(C3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1OC
Show InChI InChI=1S/C24H33N3O4/c1-30-21-13-16-12-17(23(28)26-20(16)14-22(21)31-2)15-27(19-10-6-7-11-19)24(29)25-18-8-4-3-5-9-18/h12-14,18-19H,3-11,15H2,1-2H3,(H,25,29)(H,26,28)
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM50059033
PNG
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)
Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41
Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM32667
PNG
(3-furancarboxylic acid [2-(2-furanyl)-4-(phenylimi...)
Show SMILES O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccoc1
Show InChI InChI=1S/C19H12N2O5/c22-18(13-8-10-23-12-13)26-19-15(11-20-14-5-2-1-3-6-14)21-17(25-19)16-7-4-9-24-16/h1-12H/b20-11+
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62587
PNG
(MLS000030522 | SMR000040547 | cid_659587)
Show SMILES Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2CC(C)(C)OCc12
Show InChI InChI=1S/C20H20N4O2S/c1-11-14-9-26-20(2,3)7-13(14)15-16-17(27-19(15)24-11)18(23-10-22-16)21-8-12-5-4-6-25-12/h4-6,10H,7-9H2,1-3H3,(H,21,22,23)
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62591
PNG
((3Z)-2-ethyl-1,1-bis(oxidanylidene)-3-[oxidanyl(ph...)
Show SMILES CCN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C17H15NO4S/c1-2-18-15(16(19)12-8-4-3-5-9-12)17(20)13-10-6-7-11-14(13)23(18,21)22/h3-11,20H,2H2,1H3
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62595
PNG
(2-(4-benzoyl-1-piperazinyl)-N-(3,5-dibromo-2-pyrid...)
Show SMILES Brc1cnc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)c(Br)c1
Show InChI InChI=1S/C18H18Br2N4O2/c19-14-10-15(20)17(21-11-14)22-16(25)12-23-6-8-24(9-7-23)18(26)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,21,22,25)
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62602
PNG
(MLS000082398 | N-(2-chloranyl-4,6-dimethyl-phenyl)...)
Show SMILES Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(Cl)c1
Show InChI InChI=1S/C22H20ClN5O2S/c1-14-10-15(2)20(18(23)11-14)25-19(29)13-31-22-27-26-21(16-5-7-24-8-6-16)28(22)12-17-4-3-9-30-17/h3-11H,12-13H2,1-2H3,(H,25,29)
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM34275
PNG
(4-(1,3-benzodioxol-5-yl)-3-methyl-1-(4-methylpheny...)
Show SMILES Cc1nn(c2NC(=O)CSC(c12)c1ccc2OCOc2c1)-c1ccc(C)cc1
Show InChI InChI=1S/C21H19N3O3S/c1-12-3-6-15(7-4-12)24-21-19(13(2)23-24)20(28-10-18(25)22-21)14-5-8-16-17(9-14)27-11-26-16/h3-9,20H,10-11H2,1-2H3,(H,22,25)
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62609
PNG
(6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-...)
Show SMILES Cn1c2cn(cc2c(=O)n(C)c1=O)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H15N3O4/c1-17-12-9-19(8-11(12)15(20)18(2)16(17)21)10-3-4-13-14(7-10)23-6-5-22-13/h3-4,7-9H,5-6H2,1-2H3
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62616
PNG
(2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,...)
Show SMILES Cn1c2NC(=O)C(CC(=O)Nc3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H16N4O4/c1-19-13-12(15(23)20(2)16(19)24)10(14(22)18-13)8-11(21)17-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,17,21)(H,18,22)
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62620
PNG
(5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sul...)
Show SMILES Cc1cc(nc(SCc2ccc(o2)C(O)=O)n1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O3S/c1-6-4-9(12(13,14)15)17-11(16-6)21-5-7-2-3-8(20-7)10(18)19/h2-4H,5H2,1H3,(H,18,19)
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM55102
PNG
((1,5-dimethyl-4-pyrazolyl)-[4-[(1,5-dimethyl-4-pyr...)
Show SMILES Cc1c(cnn1C)C(=O)c1n[o+]n([O-])c1C(=O)c1cnn(C)c1C
Show InChI InChI=1S/C14H14N6O4/c1-7-9(5-15-18(7)3)13(21)11-12(20(23)24-17-11)14(22)10-6-16-19(4)8(10)2/h5-6H,1-4H3
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Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62634
PNG
((7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin...)
Show SMILES Brc1ccc2nc(COC(=O)C3COc4ccccc4O3)cc(=O)n2c1
Show InChI InChI=1S/C18H13BrN2O5/c19-11-5-6-16-20-12(7-17(22)21(16)8-11)9-25-18(23)15-10-24-13-3-1-2-4-14(13)26-15/h1-8,15H,9-10H2
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Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM39978
PNG
(MLS000055451 | N-(2,5-diethoxy-4-morpholin-4-yl-ph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C28H29N3O5/c1-3-34-26-18-24(31-11-14-33-15-12-31)27(35-4-2)17-23(26)30-28(32)20-16-22(25-10-7-13-36-25)29-21-9-6-5-8-19(20)21/h5-10,13,16-18H,3-4,11-12,14-15H2,1-2H3,(H,30,32)
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n/an/an/an/a 1.21E+3n/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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62639
PNG
(5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(2...)
Show SMILES CC1CN(CC(C)O1)C(=O)COC(=O)c1oc2ccc(Br)cc2c1C
Show InChI InChI=1S/C18H20BrNO5/c1-10-7-20(8-11(2)24-10)16(21)9-23-18(22)17-12(3)14-6-13(19)4-5-15(14)25-17/h4-6,10-11H,7-9H2,1-3H3
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62642
PNG
(2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphen...)
Show SMILES CC(Sc1nnnn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H17N5O2S/c1-12(25-17-19-20-21-22(17)2)16(23)18-13-8-10-15(11-9-13)24-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,23)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62648
PNG
(MLS000081821 | N-(3-aminocarbonyl-5,6-dihydro-4H-c...)
Show SMILES Cc1onc(c1C(=O)Nc1sc2CCCc2c1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C19H17N3O3S/c1-10-14(16(22-25-10)11-6-3-2-4-7-11)18(24)21-19-15(17(20)23)12-8-5-9-13(12)26-19/h2-4,6-7H,5,8-9H2,1H3,(H2,20,23)(H,21,24)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM51545
PNG
(1-keto-N-(3-pyridyl)isochromene-4-carboxamide | 1-...)
Show SMILES O=C(Nc1cccnc1)c1coc(=O)c2ccccc12
Show InChI InChI=1S/C15H10N2O3/c18-14(17-10-4-3-7-16-8-10)13-9-20-15(19)12-6-2-1-5-11(12)13/h1-9H,(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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM38970
PNG
(2-(1-piperidinyl)-6,7-dihydro-[1,4]dioxino[2,3-f][...)
Show SMILES C1CCN(CC1)c1nc2cc3OCCOc3cc2s1
Show InChI InChI=1S/C14H16N2O2S/c1-2-4-16(5-3-1)14-15-10-8-11-12(9-13(10)19-14)18-7-6-17-11/h8-9H,1-7H2
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62690
PNG
(1-(4-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3...)
Show SMILES Cc1ccc(NC(=O)NCC(N2CCOCC2)c2cccnc2)cc1
Show InChI InChI=1S/C19H24N4O2/c1-15-4-6-17(7-5-15)22-19(24)21-14-18(16-3-2-8-20-13-16)23-9-11-25-12-10-23/h2-8,13,18H,9-12,14H2,1H3,(H2,21,22,24)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62692
PNG
(MLS000092138 | N-(2-methylphenyl)-3-[(1-propanoyl-...)
Show SMILES CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NCCC(=O)Nc1ccccc1C
Show InChI InChI=1S/C21H25N3O4S/c1-3-21(26)24-13-11-16-14-17(8-9-19(16)24)29(27,28)22-12-10-20(25)23-18-7-5-4-6-15(18)2/h4-9,14,22H,3,10-13H2,1-2H3,(H,23,25)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM37906
PNG
(4-(7H-purin-6-ylamino)benzoic acid ethyl ester | M...)
Show SMILES CCOC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1
Show InChI InChI=1S/C14H13N5O2/c1-2-21-14(20)9-3-5-10(6-4-9)19-13-11-12(16-7-15-11)17-8-18-13/h3-8H,2H2,1H3,(H2,15,16,17,18,19)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62695
PNG
(1-(5-bromanylthiophen-2-yl)sulfonyl-3-methyl-piper...)
Show SMILES CC1CCCN(C1)S(=O)(=O)c1ccc(Br)s1
Show InChI InChI=1S/C10H14BrNO2S2/c1-8-3-2-6-12(7-8)16(13,14)10-5-4-9(11)15-10/h4-5,8H,2-3,6-7H2,1H3
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM38993
PNG
((1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene | MLS...)
Show SMILES CCCCS(=O)(=O)\C=C/C=C\S(=O)(=O)CCCC
Show InChI InChI=1S/C12H22O4S2/c1-3-5-9-17(13,14)11-7-8-12-18(15,16)10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b11-7-,12-8-
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n/an/an/an/a 3.04E+3n/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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62719
PNG
(1-[2-(3-phenoxyphenoxy)ethyl]-1,2,4-triazole | 1-[...)
Show SMILES C(Cn1cncn1)Oc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C16H15N3O2/c1-2-5-14(6-3-1)21-16-8-4-7-15(11-16)20-10-9-19-13-17-12-18-19/h1-8,11-13H,9-10H2
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62728
PNG
(MLS000064461 | N,N-dimethyl-4-(1-piperidinylcarbon...)
Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C12H24N4O3S/c1-13(2)20(18,19)16-10-8-15(9-11-16)12(17)14-6-4-3-5-7-14/h3-11H2,1-2H3
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62736
PNG
(1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyra...)
Show SMILES COc1ccc(cc1)-n1ncc2c(NCCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C19H24N6O2/c1-26-16-5-3-15(4-6-16)25-19-17(13-23-25)18(21-14-22-19)20-7-2-8-24-9-11-27-12-10-24/h3-6,13-14H,2,7-12H2,1H3,(H,20,21,22)
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n/an/an/an/a 1.52E+3n/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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62737
PNG
(2-({[3-(1-piperidinylcarbonyl)phenyl]amino}carbony...)
Show SMILES OC(=O)C1CCCCC1C(=O)Nc1cccc(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H26N2O4/c23-18(16-9-2-3-10-17(16)20(25)26)21-15-8-6-7-14(13-15)19(24)22-11-4-1-5-12-22/h6-8,13,16-17H,1-5,9-12H2,(H,21,23)(H,25,26)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62742
PNG
(2-(3,5-dimethyl-1-pyrazolyl)butanedioic acid | 2-(...)
Show SMILES Cc1cc(C)n(n1)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C9H12N2O4/c1-5-3-6(2)11(10-5)7(9(14)15)4-8(12)13/h3,7H,4H2,1-2H3,(H,12,13)(H,14,15)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62756
PNG
(4-(3,4-dimethoxyphenyl)-1-(1-methylbutyl)-4,8-dihy...)
Show SMILES CCCC(C)n1[nH]c(=O)c2C(SCC(=O)Nc12)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C19H25N3O4S/c1-5-6-11(2)22-18-16(19(24)21-22)17(27-10-15(23)20-18)12-7-8-13(25-3)14(9-12)26-4/h7-9,11,17H,5-6,10H2,1-4H3,(H,20,23)(H,21,24)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62761
PNG
(1-(4-fluorophenyl)-4-(1-piperidinylsulfonyl)pipera...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C15H22FN3O2S/c16-14-4-6-15(7-5-14)17-10-12-19(13-11-17)22(20,21)18-8-2-1-3-9-18/h4-7H,1-3,8-13H2
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62784
PNG
(2-[[4-(6-keto-1-methyl-pyridazin-3-yl)oxy-6-methyl...)
Show SMILES CCOC(=O)CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1
Show InChI InChI=1S/C14H16N4O4S/c1-4-21-13(20)8-23-14-15-9(2)7-11(16-14)22-10-5-6-12(19)18(3)17-10/h5-7H,4,8H2,1-3H3
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n/an/an/an/a 2.81E+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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62790
PNG
(1-ethyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)...)
Show SMILES CCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
Show InChI InChI=1S/C12H17N3O4S/c1-2-15-10(17)7-9(16)13-12(15)20-8-11(18)14-3-5-19-6-4-14/h7,16H,2-6,8H2,1H3
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62795
PNG
(2-(5-chloranylpyridin-2-yl)-3-(2,3-dihydro-1,4-ben...)
Show SMILES Clc1ccc(nc1)N1C(Nc2ccc3OCCOc3c2)c2ccccc2C1=O
Show InChI InChI=1S/C21H16ClN3O3/c22-13-5-8-19(23-12-13)25-20(15-3-1-2-4-16(15)21(25)26)24-14-6-7-17-18(11-14)28-10-9-27-17/h1-8,11-12,20,24H,9-10H2
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62800
PNG
(7-bromanyl-5-[[4-(2-methoxyphenyl)piperazin-1-yl]m...)
Show SMILES COc1ccccc1N1CCN(Cc2cc(Br)c(O)c3ncccc23)CC1
Show InChI InChI=1S/C21H22BrN3O2/c1-27-19-7-3-2-6-18(19)25-11-9-24(10-12-25)14-15-13-17(22)21(26)20-16(15)5-4-8-23-20/h2-8,13,26H,9-12,14H2,1H3
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62810
PNG
(2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydr...)
Show SMILES CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1
Show InChI InChI=1S/C16H16N4/c1-10-4-5-14-12(7-10)15(11-3-2-6-19-9-11)13(8-17)16(18)20-14/h2-3,6,9-10H,4-5,7H2,1H3,(H2,18,20)
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n/an/an/an/a 1.83E+3n/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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62811
PNG
(2-(4-methylphenyl)-3-oxidanyl-chromen-4-one | 3-hy...)
Show SMILES Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C16H12O3/c1-10-6-8-11(9-7-10)16-15(18)14(17)12-4-2-3-5-13(12)19-16/h2-9,18H,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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62833
PNG
(MLS000104081 | N-cycloheptyl-2,4-diketo-3-(2-metho...)
Show SMILES COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C19H25N3O4/c1-26-11-10-22-18(24)15-9-8-13(12-16(15)21-19(22)25)17(23)20-14-6-4-2-3-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,20,23)(H,21,25)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62839
PNG
(5,5-dimethyl-2,6-dihydro-[1,2,4]triazol[3,4-a]isoq...)
Show SMILES CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12
Show InChI InChI=1S/C12H13N3S/c1-12(2)7-8-5-3-4-6-9(8)10-13-14-11(16)15(10)12/h3-6H,7H2,1-2H3,(H,14,16)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62843
PNG
(2-(2-benzamido-5-thiazolyl)acetic acid ethyl ester...)
Show SMILES CCOC(=O)Cc1cnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C14H14N2O3S/c1-2-19-12(17)8-11-9-15-14(20-11)16-13(18)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,18)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62850
PNG
(2-(2-phenoxyethylsulfanyl)-1,3-benzoxazole | 2-(2-...)
Show SMILES C(CSc1nc2ccccc2o1)Oc1ccccc1
Show InChI InChI=1S/C15H13NO2S/c1-2-6-12(7-3-1)17-10-11-19-15-16-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62865
PNG
(4-(2,5-dimethoxybenzoyl)benzoic acid | 4-(2,5-dime...)
Show SMILES COc1ccc(OC)c(c1)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H14O5/c1-20-12-7-8-14(21-2)13(9-12)15(17)10-3-5-11(6-4-10)16(18)19/h3-9H,1-2H3,(H,18,19)
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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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%